NP-MRD: Showing NP-Card for beta-sitosteryl-3-O-beta-glucopiranoside (NP0029729)

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Record Information

Version

2.0

Created at

2021-06-19 21:16:42 UTC

Updated at

2021-08-20 00:00:14 UTC

NP-MRD ID

NP0029729

Secondary Accession Numbers

None

Natural Product Identification

Common Name

beta-sitosteryl-3-O-beta-glucopiranoside

Provided By

JEOL Database JEOL Logo

Description

Daucosterol is also known as eleutheroside a or alexandrin. Daucosterol is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. beta-sitosteryl-3-O-beta-glucopiranoside is found in Abies koreana, Vachellia pennatula, Acacia suma, Acaena splendens, Acanthus ilicifolius, Acer mandshuricum, Aceraceae nikoense, Achillea millefolium, Achlys triphylla, Spilanthes paniculata, Aconitum japonicum, Aconitum karakolicum, Acorus calamus, Acritopappus longifolius, Actaea cimicifuga, Actinidia chinensis, Actiniopteris australis, Adenophora stricta, Adenophora triphylla, Justicia adhatoda, Aeginetia indica, Aegle marmelos, Aesculus chinensis, Tagetes erecta, Aglaia elliptica, Aglaia foveolata, Aglaia odorata, Aglaomorpha quercifolia, Ailanthus altissima, Ailanthus triphysa, Ajania nubigena, Ajuga taiwanensis, Alangium platanifolium, Alchornea laxiflora, Alisma plantago-aquatica, Allagopappus dichotomus, Allagopappus viscosissimus, Allium cepa, Allium chinense, Allium fistulosum, Allium victorialis, Alnus japonica, Aloe vera, Alpinia roxburghii, Alyxia sinensis, Amaranthus spinosus, Amsonia elliptica, Amsonia tomentosa, Anaphalis lactea, Anastatica hierochuntica, Anemone cernua, Anemone tomentosa, Angelica dahurica, Annona cherimola, Annona glabra, Annona montana, Anthocleista vogelii, Apis cerana, Apocynum venetum, Arachis hypogaea, Arachniodes standishii, Aralia elata, Aralia leschenaultii, Arctostaphylos patula, Ardisia elliptica, Arenaria kansuensis, Arisaema amurense, Aristolochia chamissonis, Aristolochia chilensis, Aristolochia clematitis, Aristolochia cucurbitifolia, Aristolochia elegans, Aristolochia heterophylla, Aristolochia liukiuensis, Aristolochia manshuriensis, Artemisia arborescens, Artemisia eriopoda, Artemisia feddei, Artemisia giraldii, Artemisia herba-alba, Artemisia igniaria, Artemisia keiskeana, Artemisia phaeolepis, Artemisia roxburghiana, Artemisia rubripes, Arum italicum, Arundo donax, Asarum petelotii, Asimina parviflora, Asparagus adscendens, Asparagus officinalis, Asplenium indicum, Aster koraiensis, Aster tataricus, Asteriscus sericeus, Astilbe chinensis, Astilbe rubra, Astragalus coluteocarpus, Astragalus macropus, Astragalus mongholicus, Astragalus schahrudensis, Astragalus sieversianus, Astragalus tragacantha, Atractylodes macrocephala, Atropa acuminata, Azadirachta indica, Bacopa monnieri, Picradeniopsis pringlei, Bauhinia forficata, Bauhinia purpurea, Begonia malabarica, Berchemia pakistanica, Berchemia racemosa, Betula alnoides, Bidens bipinnata, Biebersteinia heterostemon, Bituminaria bituminosa, Boerhavia diffusa, Boschniakia rossica, Brandisia hancei, Breynia fruticosa, Brosimum gaudichaudii, Brucea javanica, Bruguiera gymnorhiza, Bryonia alba, Buddleja fallowiana, Bulbophyllum odoratissimum, Bursera graveolens, Byrsonima crassifolia, Calophyllum polyanthum, Calycanthus chinensis, Calyptranthes pallens, Camellia japonica, Campylospermum flavum, Canella winterana, Capparis spinosa, Caraipa densifolia, Carpesium longifolium, Carpesium macrocephalum, Carthamus mareoticus, Carthamus tinctorius, Caryopteris tangutica, Casearia membranacea, Cassia fistula, Cassytha filiformis, Castanopsis fissa, Catha edulis, Cedrelopsis grevei, Cedrus deodara, Ceiba pentandra, Celastrus flagellaris, Celosia argentea, Centaurea arenaria, Centaurea aspera, Centaurea cadmea, Centaurea horrida, Centaurea imperialis, Centaurea jacea, Centaurea langei, Centaurea regia, Centella asiatica, Chamaecyparis formosensis, Chenopodium ficifolium, Chione venosa, Chromolaena odorata, Chrysosplenium flagelliferum, Cinnamomum camphora, Cinnamomum kotoense, Cinnamomum subavenium, Cinnamomum tenuifolium, Cirsium palustre, Cistanche salsa, Citrullus colocynthis, Citrus hystrix, Citrus japonica, Citrus maxima, Clausena excavata, Clematis montana, Clerodendrum colebrookianum, Coelogyne ovalis, Coniogramme japonica, Conyza bonariensis, Corchorus capsularis, Corchorus depressus, Corchorus olitorius, Cordia oncocalyx, Cordia trichotoma, Cornus capitata, Corymbia citriodora, Cousinia canescens, Crataegus flava, Crataegus pinnatifida, Crateva religiosa, Cratoxylum cochinchinense, Cremanthodium discoideum, Cremastra appendiculata, Crepis capillaris, Croton cajucara, Croton glabellus, Croton laevigatus, Croton lechleri, Croton urucurana, Cryptolepis obtusa, Cucumis sativus, Cullen corylifolium, Cuphea wrightii, Curculigo orchioides, Cyanotis arachnoidea, Cyathula officinalis, Cyclospermum leptophyllum, Cydonia oblonga, Cymbopogon martinii, Cynanchum bungei, Cynara humilis, Cynomorium songaricum, Dalbergia lanceolaria, Daphne oleoides, Datisca glomerata, Daucus carota, Delphinium venulosum, Dendrobium cariniferum, Dendrobium chryseum, Dendrobium nobile Lindl. , Dendrobium thyrsiflorum, Dendrobium tosaense, Dendropanax trifidus, Desmostachya bipinnata, Deutzia corymbosa, Dialium excelsum, Dianthus chinensis, Dimocarpus fumatus, Dioscorea bulbifera, Dioscorea membranacea, Dioscorea oppositifolia, Dipsacus inermis, Dischidia formosana, Disporopsis aspera, Inula viscosa , Dodonaea viscosa, Dorstenia angusticornis, Dorstenia barteri, Dorstenia brasiliensis, Dorstenia elliptica, Dorstenia mannii, Dorstenia prorepens, Dorstenia psilurus, Dracaena cochinchinensis, Drypetes indica, Inula cappa , Duranta erecta, Dysphania graveolens, Echinops echinatus, Echinops ritro, Eleusine indica, Eleutherococcus brachypus, Eleutherococcus sessiliflorus, Elliottia paniculata, Elsholtzia ciliata, Embelia ribes, Enkianthus campanulatus, Enkianthus cernuus, Entodon luridus, Epimedium sagittatum, Eremurus chinensis, Erigeron canadensis, Eriogonum umbellatum, Tabernaemontana divaricata, Erythrina sigmoidea, Eucalyptus camaldulensis, Eucalyptus globulus, Eucalyptus robusta, Eucalyptus saligna, Euchresta formosana, Tetradium glabrifolium, Tetradium daniellii, Euonymus echinatus, Euphorbia aleppica, Euphorbia dendroides, Euphorbia ebracteolata, Euphorbia esula, Euphorbia kansui, Euphorbia macroclada, Euphorbia rothiana, Euptelea polyandra, Eurycoma longifolia, Evolvulus nummularius, Eysenhardtia platycarpa, Fagopyrum tataricum, Fatsia japonica, Fibraurea tinctoria, Ficus conraui, Ficus glumosa, Ficus lyrata, Ficus microcarpa, Ficus mucuso, Ficus pandurata, Ficus polita, Ficus pumila, Ficus sagittata, Flacourtia indica, Flavoparmelia caperata, Moghania macrophylla, Flemingia stricta, Flueggea tinctoria, Flueggea virosa, Foeniculum vulgare, Forsythia suspensa, Fraxinus malacophylla, Fraxinus ornus, Fritillaria thunbergii, Fritillaria verticillata, Galega officinalis, Galphimia glauca, Ganoderma applanatum, Gastrodia elata, Gentiana algida, Gentiana lutea L. , Gentiana macrophylla, Gentiana scabra, Gentiana siphonantha, Gentiana tibetica, Glochidion zeylanicum, Gnetum montanum, Goniothalamus sesquipedalis, Gonocaryum calleryanum, Tanacetum ferulaceum, Grewia bicolor, Guaiacum officinale, Gymnotheca involucrata, Gynura japonica, Halenia elliptica, Halimodendron halodendron, Halocharis hispida, Hansenia weberbaueriana, Harrisonia perforata, Hebanthe eriantha, Hedera nepalensis, Hedera rhombea, Hedychium coronarium, Helianthus annuus, Helianthus radula, Helichrysum arenarium, Helichrysum stoechas, Helicteres angustifolia, Helicteres isora, Heliotropium indicum, Helwingia chinensis, Schefflera venulosa, Heracleum wolongense, Heteropanax fragrans, Hibiscus moscheutos, Hoodia gordonii, Houttuynia cordata, Humulus lupulus, Hydrastis canadensis, Hymenaea martiana, Hymenidium davidii, Hymenodictyon floribundum, Hyoscyamus niger , Hypericum erectum, Hypericum geminiflorum, Hypericum monogynum, Hypericum perforatum, Mesosphaerum suaveolens, Icacina senegalensis, Incarvillea delavayi, Inula grantioides, Inula japonica, Iostephane heterophylla, Iphiona scabra, Ipomoea carnea, Pharbitis nil , Iresine diffusa, Iris domestica, Iris leptophylla, Iris tectorum, Isodon angustifolius, Isodon coetsa, Isodon glutinosus, Isodon japonicus, Isodon rubescens, Isodon sculponeatus, Isodon umbrosus, Ixora coccinea, Jatropha maheshwarii, Juncus effusus, Juniperus formosana, Himalaiella deltoidea, Justicia diffusa, Justicia flava, Kadsura ananosma, Kaempferia angustifolia, Khaya senegalensis, Koelreuteria paniculata, Koenigia coriaria, Krameria bicolor, Lactuca sativa, Lagerstroemia speciosa, Lagotis yunnanensis, Laportea ovalifolia, Lavandula canariensis, Lawsonia inermis, Leontopodium nanum, Lepechinia caulescens, Leptopus chinensis, Leucas inflata, Liatris aspera, Licania pyrifolia, Licaria triandra, Ligularia atroviolacea, Ligularia dolichobotrys, Ligularia duciformis, Ligularia hodgsonii, Ligularia intermedia, Ligularia macrophylla, Ligularia sagitta, Ligularia tongolensis, Ligusticum porteri, Ligustrum obtusifolium, Lilium brownii, Lilium candidum, Limonium axillare, Limonium wrightii, Linaria vulgaris, Lindera communis, Lindera glauca, Linum usitatissimum, Liriope spicata, Lonicera hypoleuca, Lotus creticus, Lupinus pubescens, Lyonia ovalifolia, Lysimachia japonica, Dolichandra unguis-cati, Machilus japonica, Maesopsis eminii, Magnolia grandiflora, Magnolia sieboldii, Mallotus apelta, Mallotus repandus, Mandevilla martiana, Mandragora officinarum, Mangifera indica, Magnolia sinica, Maquira coriacea, Marrubium anisodon, Matricaria chamomilla, Gymnosporia diversifolia, Melia azedarach, Melicope micrococca, Melochia tomentosa, Mimosa tenuiflora, Mimusops elengi, Mirabilis himalaica, Mitragyna inermis , Mitragyna rotundifolia, Mitragyna speciosa, Mitragyna stipulosa , Molineria capitulata, Glinus oppositifolius, Monochaetum vulcanicum, Morinda officinalis , Moringa oleifera , Moringa peregrina , Morus alba, Mosla dianthera, Mosla soochowensis, Musa paradisiaca, Mutisia acerosa, Nardostachys jatamansi, Nauclea orientalis, Nealchornea yapurensis, Nelumbo nucifera, Neolitsea acuminatissima, Neolitsea hiiranensis, Nepeta tuberosa, Nicotiana glauca, Nothapodytes nimmoniana, Hansenia forbesii, Nyctanthes arbor-tristis, Nymphaea elegans, Ochna afzelii, Ocimum tenuiflorum, Oenothera biennis, Oldenlandia corymbosa, Oldenlandia herbacea, Oligochaeta divaricata, Onychium contiguum, Onychium japonicum, Ophiopogon intermedius, Ophiopogon jaburan, Ophiopogon planiscapus, Ophiorrhiza kuroiwae, Ophiorrhiza pumila, Dactylorhiza hatagirea, Oreocnide frutescens, Osbeckia chinensis, Osmanthus fortunei, Osmanthus heterophyllus, Otanthus maritimus, Ouratea castaneifolia, Oxyanthus pallidus, Packera hartiana, Paliurus hemsleyanus, Panax ginseng, Panax japonicus, Panax pseudoginseng, Panax vietnamensis, Paris polyphylla, Parthenium hysterophorus, Paspalum scrobiculatum, Passiflora oerstedii, Patrinia rupestris, Paullinia pinnata, Pedalium murex, Pellionia repens, Peltophorum dubium, Penianthus zenkeri, Peperomia leptostachya, Perilla frutescens, Cryptolepis nigrescens, Periploca sepium, Peristrophe japonica, Persicaria lapathifolia, Petasites formosanus, Peucedanum praeruptorum, Phlomoides hamosa, Phlomoides tuberosa, Phoradendron reichenbachianum, Physalis minima, Physalis peruviana, Physalis sordida, Picea neoveitchii, Picramnia antidesma, Picramnia hirsuta, Pinalia floribunda, Pinus sylvestris, Piper longum, Piper methysticum, Piper nigrum, Piper pedicellatum, Piper schmidtii, Platycladus orientalis, Platycodon grandiflorus, Pluchea dioscoridis, Pluchea lanceolata, Plumbago zeylanica, Plumeria rubra, Poa huecu, Podanthus mitiqui, Polyalthia suberosa, Polygonatum kingianum, Persicaria nepalensis, Polyscias fulva, Pongamia pinnata, Poraqueiba guianensis, Prangos ferulacea, Prangos pabularia, Primula macrophylla, Prinsepia utilis, Protium heptaphyllum, Prunella vulgaris, Prunus africana, Prunus armeniaca, Prunus cornuta, Prunus davidiana, Prunus dulcis, Prunus persica, Prunus zippeliana, Psacalium megaphyllum, Psidium cattleyanum, Psychotria correae, Pteris ensiformis, Pterospermum xylocarpum, Ptilostemon chamaepeuce, Pueraria montana, Pulicaria incisa, Pulicaria laciniata, Pycnanthus angolensis, Pygeum topengii, Pyrrosia petiolosa, Pyrus communis, Ranunculus laetus, Reissantia buchananii, Reseda suffruticosa, Retrophyllum rospigliosii, Rhamnus wightii, Rheum sublanceolatum, Rhinacanthus nasutus, Rhizophora apiculata, Rhodiola fastigiata, Rhodiola linearifolia, Rhodiola rosea, Rhodiola sachalinensis, Rhododendron barbatum, Rhododendron latoucheae, Rohdea chinensis, Roldana angulifolia, Roldana lobata, Rorippa indica, Rosa bella, Rosa davidii, Rosa laevigata, Rosa taiwanensis, Rosa transmorrisonensis, Roscoea purpurea, Rubia argyi, Rubia cordifolia, Rubia yunnanensis, Rubus coreanus, Rubus pungens, Ruellia patula, Rumex nepalensis , Ruscus aculeatus, Sagittaria trifolia, Salsola collina, Salvadora persica, Salvia aegyptiaca, Salvia bucharica, Salvia caespitosa, Salvia deserta, Salvia eriophora, Salvia longistyla, Salvia macrosiphon, Salvia moorcroftiana, Salvia palaestina, Salvia sahendica, Salvia staminea, Salvia tomentosa, Salvia trijuga, Salvia verbenaca, Salvia verticillata, Sambucus nigra, Sanguisorba alpina, Sanguisorba officinalis, Santolina chamaecyparissus, Sapium haematospermum, Sarcocephalus latifolius, Sargentodoxa cuneata, Satureja montana, Sauromatum giganteum, Saussurea controversa, Saussurea costus, Saussurea involucrata, Saussurea medusa, Saussurea parviflora, Scaphium affine, Scorzonera cretica, Scorzonera hispanica, Scrophularia ningpoensis , Scutellaria amoena, Scutellaria galericulata, Scutellaria lateriflora, Semialarium mexicanum, Senecio bonariensis, Senna alata, Senna auriculata, Serenoa repens, Sida spinosa, Sigesbeckia glabrescens, Sigesbeckia pubescens, Simaba orinocensis, Sinapis arvensis, Sinopodophyllum hexandrum, Siphoneugena densiflora, Smallanthus maculatus, Smilax lebrunii, Smilax perfoliata, Solanum chrysotrichum, Solanum crispum, Solanum lasiocarpum, Solanum melongena, Solanum sisymbriifolium, Solanum virginianum, Soroseris hookeriana, Sparganium eurycarpum, Sparganium stoloniferum, Sporobolus cynosuroides, Spathelia excelsa, Spathodea campanulata, Sphaerophysa salsula, Sphagneticola trilobata, Stellaria media, Stellera chamaejasme, Stifftia chrysantha, Streblus asper, Strobilanthes yunnanensis, Swertia punicea, Symplocos racemosa, Syringa reticulata, Syzygium sandwicense, Tabernaemontana laeta, Tadehagi triquetrum, Tanacetum vulgare, Taraxacum mongolicum, Taraxacum officinale, Taxus mairei, Tecoma stans, Tectona grandis, Tephrosia candida, Terminalia chebula, Terminalia glabrescens, Tetracera asiatica, Tetraena coccinea, Tetrapanax papyrifer, Thalictrum aquilegiifolium, Thalictrum atriplex, Thalictrum simplex, Thulinella chrysantha, Tinospora sinensis, Tithonia longiradiata, Tolpis webbii, Toona ciliata, Triadica sebifera, Trianthema portulacastrum, Tribulus terrestris, Trichilia claussenii, Trichilia elegans, Trichilia emetica, Trichosanthes tricuspidata, Tridax procumbens, Triplostegia grandiflora, Tripterygium hypoglaucum, Triumfetta cordifolia, Trollius chinensis, Typha angustifolia, Uncaria hirsuta, Uncaria tomentosa, Urceola rosea, Vaccinium macrocarpon, Veratrum mengtzeanum, Verbascum songaricum, Verbena brasiliensis, Verbena officinalis , Vernonia cumingiana, Viburnum cylindricum, Viburnum dilatatum, Viburnum furcatum, Viburnum jucundum, Viburnum suspensum, Vigna unguiculata, Virola michelii, Viscum album, Vitex negundo, Vitex quinata, Vochysia ferruginea, Warburgia stuhlmannii, Withania coagulans, Xanthium sibiricum, Xylopia aethiopica, Zanthoxylum ailanthoides, Zanthoxylum bungeanum, Zanthoxylum monophyllum, Zanthoxylum piasezkii, Ziziphora tenuior, Ziziphus jujuba, Ziziphus spina-christi and Tetraena simplex. beta-sitosteryl-3-O-beta-glucopiranoside was first documented in 1981 (PMID: 7246155). Based on a literature review a small amount of articles have been published on daucosterol (PMID: 23337296) (PMID: 23668009) (PMID: 24010320) (PMID: 24228585).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI

  Mrv1652306192123163D          

101105  0  0  0  0            999 V2000
   -8.8896   -0.1772   -1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4909   -0.8738   -2.3442 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.9382   -2.3114   -2.1649 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8306   -2.3962   -1.0805 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5412   -1.6315   -1.4183 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5313   -1.5522   -0.2389 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0091   -2.9513    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3780   -0.5617   -0.5835 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9116    0.8758   -0.8674 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8219    1.8632   -0.4335 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6206    0.9756   -0.1520 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4723    1.5664    0.6753 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0821    2.8361    0.0102 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4183    3.2560    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2142    2.4905    1.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    3.0304    1.8040 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7069    2.0760    1.5243 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9006    2.5100    2.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5899    3.5674    1.5091 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0516    3.1406    0.2330 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7709    4.1656   -0.4757 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1773    3.6096   -1.8494 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1148    2.5411   -1.7195 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9922    4.6548    0.3196 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5952    5.7847   -0.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5702    5.0696    1.7302 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7393    5.3940    2.5005 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7791    3.9555    2.4043 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3378    4.4133    3.6939 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3877    0.6812    2.0655 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0836    0.1358    1.4866 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8484    1.0557    1.7124 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4801    1.0632    3.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555    0.5095    0.8298 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1117   -0.8687    1.2833 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1066   -1.3544    0.4784 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2376   -0.3095    0.4537 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8178   -0.1067    1.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4991   -2.9238   -3.5359 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.6426   -2.9374   -4.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9655   -4.3557   -3.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5638   -0.8033   -0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4092    0.7600   -1.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0164    0.0747   -0.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3897   -0.9109   -2.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7655   -0.2501   -2.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7728   -2.9220   -1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2280   -2.0301   -0.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6040   -3.4513   -0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0473   -2.0943   -2.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8185   -0.6193   -1.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

101105  0  0  0  0  0  0  0  0999 V2000
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 13 12  1  0
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  1 44  1  0
M  END

  Mrv1652306192123163D          

101105  0  0  0  0            999 V2000
   -8.8896   -0.1772   -1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4909   -0.8738   -2.3442 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.9382   -2.3114   -2.1649 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8306   -2.3962   -1.0805 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5412   -1.6315   -1.4183 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5313   -1.5522   -0.2389 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0091   -2.9513    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3780   -0.5617   -0.5835 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9116    0.8758   -0.8674 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8219    1.8632   -0.4335 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6206    0.9756   -0.1520 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4723    1.5664    0.6753 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0821    2.8361    0.0102 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4183    3.2560    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2142    2.4905    1.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    3.0304    1.8040 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7069    2.0760    1.5243 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9006    2.5100    2.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5899    3.5674    1.5091 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0516    3.1406    0.2330 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7709    4.1656   -0.4757 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1773    3.6096   -1.8494 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1148    2.5411   -1.7195 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9922    4.6548    0.3196 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5952    5.7847   -0.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5702    5.0696    1.7302 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7393    5.3940    2.5005 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7791    3.9555    2.4043 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3378    4.4133    3.6939 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3877    0.6812    2.0655 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0836    0.1358    1.4866 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8484    1.0557    1.7124 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4801    1.0632    3.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555    0.5095    0.8298 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1117   -0.8687    1.2833 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1066   -1.3544    0.4784 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2376   -0.3095    0.4537 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8178   -0.1067    1.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4991   -2.9238   -3.5359 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.6426   -2.9374   -4.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9655   -4.3557   -3.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5638   -0.8033   -0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4092    0.7600   -1.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0164    0.0747   -0.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3897   -0.9109   -2.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7655   -0.2501   -2.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7728   -2.9220   -1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6040   -3.4513   -0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3635   -3.3389   -0.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -3.6669    0.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1289    0.9941   -1.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8356    1.0874   -0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1958    0.7167   -1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8486    1.8485    1.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1783    2.6942   -1.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6279    3.6583    0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7325    4.2607    0.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512    4.0059    1.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742    3.2289    2.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8803    1.9968    0.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9104    4.4211    1.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0832    5.0026   -0.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6297    4.3903   -2.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2969    3.2117   -2.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2911    2.2096   -2.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7560    3.8711    0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2831    6.0894    0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9791    5.9936    1.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4257    5.4459    3.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4278    3.0896    2.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7476    3.7043    4.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    0.7002    3.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120   -0.0003    1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9055   -0.8549    1.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2332   -0.0223    0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2527    1.5351    3.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3583    0.0480    3.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1650   -0.8450    2.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5267   -3.4452   -4.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7492   -4.7920   -4.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
 34 35  1  0  0  0  0
 12 11  1  0  0  0  0
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 26 24  1  0  0  0  0
 24 21  1  0  0  0  0
 30 31  1  0  0  0  0
  8  6  1  0  0  0  0
 17 16  1  0  0  0  0
  6  7  1  0  0  0  0
 16 15  1  0  0  0  0
 37 38  1  1  0  0  0
 32 31  1  0  0  0  0
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 32 15  1  0  0  0  0
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 21 20  1  0  0  0  0
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  6  5  1  0  0  0  0
  5  4  1  0  0  0  0
 15 14  2  0  0  0  0
  4  3  1  0  0  0  0
 14 13  1  0  0  0  0
  3 39  1  0  0  0  0
 13 12  1  0  0  0  0
 39 40  1  0  0  0  0
 34 12  1  0  0  0  0
 39 41  1  0  0  0  0
 24 25  1  0  0  0  0
  3  2  1  0  0  0  0
 26 27  1  0  0  0  0
  2  1  1  0  0  0  0
 21 22  1  0  0  0  0
 19 18  1  0  0  0  0
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 22 71  1  0  0  0  0
 22 72  1  0  0  0  0
 21 70  1  6  0  0  0
 23 73  1  0  0  0  0
 30 80  1  0  0  0  0
 30 81  1  0  0  0  0
 17 68  1  6  0  0  0
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 16 67  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
 14 65  1  0  0  0  0
 13 63  1  0  0  0  0
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 36 90  1  0  0  0  0
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 35 88  1  0  0  0  0
 35 89  1  0  0  0  0
 33 84  1  0  0  0  0
 33 85  1  0  0  0  0
 33 86  1  0  0  0  0
  8 56  1  6  0  0  0
  9 57  1  0  0  0  0
  9 58  1  0  0  0  0
 10 59  1  0  0  0  0
 10 60  1  0  0  0  0
  6 52  1  1  0  0  0
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 38 92  1  0  0  0  0
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  5 50  1  0  0  0  0
  5 51  1  0  0  0  0
  4 48  1  0  0  0  0
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  3 47  1  1  0  0  0
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 41100  1  0  0  0  0
 41101  1  0  0  0  0
  2 45  1  0  0  0  0
  2 46  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0029729

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])C([H])([H])C3=C([H])C([H])([H])[C@@]4([H])[C@]5([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4([H])[C@@]3(C([H])([H])[H])C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1

> <INCHI_KEY>
NPJICTMALKLTFW-OFUAXYCQSA-N

> <FORMULA>
C35H60O6

> <MOLECULAR_WEIGHT>
576.859

> <EXACT_MASS>
576.438989652

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
101

> <JCHEM_AVERAGE_POLARIZABILITY>
70.49474337251243

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
5.71

> <JCHEM_LOGP>
6.073641146333333

> <ALOGPS_LOGS>
-5.31

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.200090025428626

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.210561282115878

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083542853919

> <JCHEM_POLAR_SURFACE_AREA>
99.38000000000001

> <JCHEM_REFRACTIVITY>
162.17940000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.85e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

101105  0  0  0  0  0  0  0  0999 V2000
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M  END

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  C   UNK     0      -8.890  -0.177  -1.049  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.491  -0.874  -2.344  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.938  -2.311  -2.165  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.831  -2.396  -1.081  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.541  -1.632  -1.418  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.531  -1.552  -0.239  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.009  -2.951   0.103  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.378  -0.562  -0.584  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.912   0.876  -0.867  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.822   1.863  -0.434  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.621   0.976  -0.152  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.472   1.566   0.675  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.082   2.836   0.010  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.418   3.256   0.537  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.214   2.490   1.306  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.539   3.030   1.804  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.707   2.076   1.524  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.901   2.510   2.188  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.590   3.567   1.509  0.00  0.00           C+0
HETATM   20  O   UNK     0       7.052   3.141   0.233  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.771   4.166  -0.476  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.177   3.610  -1.849  0.00  0.00           C+0
HETATM   23  O   UNK     0       9.115   2.541  -1.720  0.00  0.00           O+0
HETATM   24  C   UNK     0       8.992   4.655   0.320  0.00  0.00           C+0
HETATM   25  O   UNK     0       9.595   5.785  -0.324  0.00  0.00           O+0
HETATM   26  C   UNK     0       8.570   5.070   1.730  0.00  0.00           C+0
HETATM   27  O   UNK     0       9.739   5.394   2.501  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.779   3.955   2.404  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.338   4.413   3.694  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.388   0.681   2.066  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.084   0.136   1.487  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.848   1.056   1.712  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.480   1.063   3.216  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.656   0.509   0.830  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.112  -0.869   1.283  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.107  -1.354   0.478  0.00  0.00           C+0
HETATM   37  C   UNK     0      -2.238  -0.310   0.454  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.818  -0.107   1.874  0.00  0.00           C+0
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HETATM   41  C   UNK     0      -6.965  -4.356  -3.394  0.00  0.00           C+0
HETATM   42  H   UNK     0      -9.564  -0.803  -0.457  0.00  0.00           H+0
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HETATM   67  H   UNK     0       3.474   3.229   2.881  0.00  0.00           H+0
HETATM   68  H   UNK     0       4.880   1.997   0.443  0.00  0.00           H+0
HETATM   69  H   UNK     0       5.910   4.421   1.402  0.00  0.00           H+0
HETATM   70  H   UNK     0       7.083   5.003  -0.657  0.00  0.00           H+0
HETATM   71  H   UNK     0       8.630   4.390  -2.469  0.00  0.00           H+0
HETATM   72  H   UNK     0       7.297   3.212  -2.365  0.00  0.00           H+0
HETATM   73  H   UNK     0       9.291   2.210  -2.616  0.00  0.00           H+0
HETATM   74  H   UNK     0       9.756   3.871   0.391  0.00  0.00           H+0
HETATM   75  H   UNK     0      10.283   6.089   0.302  0.00  0.00           H+0
HETATM   76  H   UNK     0       7.979   5.994   1.695  0.00  0.00           H+0
HETATM   77  H   UNK     0       9.426   5.446   3.426  0.00  0.00           H+0
HETATM   78  H   UNK     0       8.428   3.090   2.586  0.00  0.00           H+0
HETATM   79  H   UNK     0       6.748   3.704   4.021  0.00  0.00           H+0
HETATM   80  H   UNK     0       4.346   0.700   3.162  0.00  0.00           H+0
HETATM   81  H   UNK     0       5.212  -0.000   1.820  0.00  0.00           H+0
HETATM   82  H   UNK     0       2.906  -0.855   1.922  0.00  0.00           H+0
HETATM   83  H   UNK     0       3.233  -0.022   0.410  0.00  0.00           H+0
HETATM   84  H   UNK     0       2.253   1.535   3.832  0.00  0.00           H+0
HETATM   85  H   UNK     0       0.551   1.610   3.404  0.00  0.00           H+0
HETATM   86  H   UNK     0       1.358   0.048   3.607  0.00  0.00           H+0
HETATM   87  H   UNK     0       1.056   0.346  -0.184  0.00  0.00           H+0
HETATM   88  H   UNK     0      -0.165  -0.845   2.341  0.00  0.00           H+0
HETATM   89  H   UNK     0       0.899  -1.625   1.190  0.00  0.00           H+0
HETATM   90  H   UNK     0      -0.784  -1.584  -0.545  0.00  0.00           H+0
HETATM   91  H   UNK     0      -1.442  -2.299   0.913  0.00  0.00           H+0
HETATM   92  H   UNK     0      -2.080   0.283   2.581  0.00  0.00           H+0
HETATM   93  H   UNK     0      -3.179  -1.053   2.290  0.00  0.00           H+0
HETATM   94  H   UNK     0      -3.662   0.590   1.883  0.00  0.00           H+0
HETATM   95  H   UNK     0      -6.695  -2.309  -3.958  0.00  0.00           H+0
HETATM   96  H   UNK     0      -8.929  -1.924  -4.856  0.00  0.00           H+0
HETATM   97  H   UNK     0      -8.341  -3.457  -5.477  0.00  0.00           H+0
HETATM   98  H   UNK     0      -9.527  -3.445  -4.161  0.00  0.00           H+0
HETATM   99  H   UNK     0      -7.694  -5.001  -2.891  0.00  0.00           H+0
HETATM  100  H   UNK     0      -6.749  -4.792  -4.375  0.00  0.00           H+0
HETATM  101  H   UNK     0      -6.030  -4.384  -2.827  0.00  0.00           H+0
CONECT    1    2   42   43   44                                             
CONECT    2    3    1   45   46                                             
CONECT    3    4   39    2   47                                             
CONECT    4    5    3   48   49                                             
CONECT    5    6    4   50   51                                             
CONECT    6    8    7    5   52                                             
CONECT    7    6   53   54   55                                             
CONECT    8    9   37    6   56                                             
CONECT    9    8   10   57   58                                             
CONECT   10   11    9   59   60                                             
CONECT   11   12   37   10   61                                             
CONECT   12   11   62   13   34                                             
CONECT   13   14   12   63   64                                             
CONECT   14   15   13   65                                                  
CONECT   15   16   32   14                                                  
CONECT   16   17   15   66   67                                             
CONECT   17   18   30   16   68                                             
CONECT   18   17   19                                                       
CONECT   19   28   20   18   69                                             
CONECT   20   21   19                                                       
CONECT   21   24   20   22   70                                             
CONECT   22   23   21   71   72                                             
CONECT   23   22   73                                                       
CONECT   24   26   21   25   74                                             
CONECT   25   24   75                                                       
CONECT   26   28   24   27   76                                             
CONECT   27   26   77                                                       
CONECT   28   29   19   26   78                                             
CONECT   29   28   79                                                       
CONECT   30   17   31   80   81                                             
CONECT   31   30   32   82   83                                             
CONECT   32   34   33   31   15                                             
CONECT   33   32   84   85   86                                             
CONECT   34   35   32   87   12                                             
CONECT   35   34   36   88   89                                             
CONECT   36   37   35   90   91                                             
CONECT   37   36   11    8   38                                             
CONECT   38   37   92   93   94                                             
CONECT   39    3   40   41   95                                             
CONECT   40   39   96   97   98                                             
CONECT   41   39   99  100  101                                             
CONECT   42    1                                                            
CONECT   43    1                                                            
CONECT   44    1                                                            
CONECT   45    2                                                            
CONECT   46    2                                                            
CONECT   47    3                                                            
CONECT   48    4                                                            
CONECT   49    4                                                            
CONECT   50    5                                                            
CONECT   51    5                                                            
CONECT   52    6                                                            
CONECT   53    7                                                            
CONECT   54    7                                                            
CONECT   55    7                                                            
CONECT   56    8                                                            
CONECT   57    9                                                            
CONECT   58    9                                                            
CONECT   59   10                                                            
CONECT   60   10                                                            
CONECT   61   11                                                            
CONECT   62   12                                                            
CONECT   63   13                                                            
CONECT   64   13                                                            
CONECT   65   14                                                            
CONECT   66   16                                                            
CONECT   67   16                                                            
CONECT   68   17                                                            
CONECT   69   19                                                            
CONECT   70   21                                                            
CONECT   71   22                                                            
CONECT   72   22                                                            
CONECT   73   23                                                            
CONECT   74   24                                                            
CONECT   75   25                                                            
CONECT   76   26                                                            
CONECT   77   27                                                            
CONECT   78   28                                                            
CONECT   79   29                                                            
CONECT   80   30                                                            
CONECT   81   30                                                            
CONECT   82   31                                                            
CONECT   83   31                                                            
CONECT   84   33                                                            
CONECT   85   33                                                            
CONECT   86   33                                                            
CONECT   87   34                                                            
CONECT   88   35                                                            
CONECT   89   35                                                            
CONECT   90   36                                                            
CONECT   91   36                                                            
CONECT   92   38                                                            
CONECT   93   38                                                            
CONECT   94   38                                                            
CONECT   95   39                                                            
CONECT   96   40                                                            
CONECT   97   40                                                            
CONECT   98   40                                                            
CONECT   99   41                                                            
CONECT  100   41                                                            
CONECT  101   41                                                            
MASTER        0    0    0    0    0    0    0    0  101    0  210    0
END

RDKit          3D

101105  0  0  0  0  0  0  0  0999 V2000
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    1.4183    3.2560    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5388    3.0304    1.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8484    1.0557    1.7124 C   0  0  1  0  0  0  0  0  0  0  0  0
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 41100  1  0
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  2 45  1  0
  2 46  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
M  END

View in JSmol

Synonyms

Value	Source
3-beta-(beta-D-Glucopyranosyloxy)stigmast-5-ene	ChEBI
Alexandrin	ChEBI
beta-Daucosterol	ChEBI
beta-Sitosterol 3-O-beta-D-glucopyranoside	ChEBI
beta-Sitosteryl-beta-D-glucopyranoside	ChEBI
BSSG	ChEBI
Coriandrinol	ChEBI
Daucosterin	ChEBI
Eleutheroside a	ChEBI
Lyoniside	ChEBI
Sitogluside	ChEBI
Sitoglusidum	ChEBI
Sitosteryl 3-beta-D-glucoside	ChEBI
Sterolin	ChEBI
beta-Sitosterol glucoside	Kegg
3-b-(b-D-Glucopyranosyloxy)stigmast-5-ene	Generator
3-Β-(β-D-glucopyranosyloxy)stigmast-5-ene	Generator
b-Daucosterol	Generator
Β-daucosterol	Generator
b-Sitosterol 3-O-b-D-glucopyranoside	Generator
Β-sitosterol 3-O-β-D-glucopyranoside	Generator
b-Sitosteryl-b-D-glucopyranoside	Generator
Β-sitosteryl-β-D-glucopyranoside	Generator
Sitosteryl 3-b-D-glucoside	Generator
Sitosteryl 3-β-D-glucoside	Generator
b-Sitosterol glucoside	Generator
Β-sitosterol glucoside	Generator
Sitosterol beta-D-glucoside	PhytoBank, MeSH
beta-Sitosterol-beta-D-glycoside	PhytoBank, MeSH
Sitosterol glucuronide	PhytoBank, MeSH
beta-Sitosterol glucutonide	PhytoBank, MeSH
(-)-beta-Sitosterol glucoside	PhytoBank
(-)-β-Sitosterol glucoside	PhytoBank
(-)-beta-Sitosterol beta-D-glucopyranoside	PhytoBank
(-)-β-Sitosterol β-D-glucopyranoside	PhytoBank
3-(beta-D-Glucopyranosyloxy)stigmast-5-ene	PhytoBank
3-(β-D-Glucopyranosyloxy)stigmast-5-ene	PhytoBank
3-O-D-Glucopyranosyl-beta-sitosterol	PhytoBank
3-O-D-Glucopyranosyl-β-sitosterol	PhytoBank
3-O-beta-D-Glucopyranosyl-beta-sitosterol	PhytoBank
3-O-β-D-Glucopyranosyl-β-sitosterol	PhytoBank
3-O-beta-D-Glucopyranosylsitosterol	PhytoBank
3-O-β-D-Glucopyranosylsitosterol	PhytoBank
3-O-beta-D-Glucosyl-beta-sitosterol	PhytoBank
3-O-β-D-Glucosyl-β-sitosterol	PhytoBank
3beta-D-Glucosyl-beta-sitosterol	PhytoBank
3β-D-Glucosyl-β-sitosterol	PhytoBank
3beta-Sitoster-3-yl beta-D-glucopyranoside	PhytoBank
3β-Sitoster-3-yl β-D-glucopyranoside	PhytoBank
Daucosterine	PhytoBank
Doursterol	PhytoBank
Sitosterol 3-O-beta-D-glucopyranoside	PhytoBank
Sitosterol 3-O-β-D-glucopyranoside	PhytoBank
Sitosterol 3-O-beta-glucopyranoside	PhytoBank
Sitosterol 3-O-β-glucopyranoside	PhytoBank
Sitosterol 3-O-beta-glucoside	PhytoBank
Sitosterol 3-O-β-glucoside	PhytoBank
Sitosterol D-glucoside	PhytoBank
Sitosterol glucopyranoside	PhytoBank
Sitosterol glucoside	PhytoBank
Sitosteryl 3beta-D-glucopyranoside	PhytoBank
Sitosteryl 3β-D-glucopyranoside	PhytoBank
Sitosteryl 3beta-glucoside	PhytoBank
Sitosteryl 3β-glucoside	PhytoBank
Sitosteryl glucoside	PhytoBank
Sitosteryl beta-D-glucopyranoside	PhytoBank
Sitosteryl β-D-glucopyranoside	PhytoBank
Stigmast-5-en-3-beta-glucopyranoside	PhytoBank
Stigmast-5-en-3-β-glucopyranoside	PhytoBank
Stigmast-5-en-3beta-yl beta-D-glucopyranoside	PhytoBank
Stigmast-5-en-3β-yl β-D-glucopyranoside	PhytoBank
beta-Daucosterin	PhytoBank
β-Daucosterin	PhytoBank
beta-Sitosterol 3-O-D-glucoside	PhytoBank
β-Sitosterol 3-O-D-glucoside	PhytoBank
beta-Sitosterol 3-O-glucoside	PhytoBank
β-Sitosterol 3-O-glucoside	PhytoBank
beta-Sitosterol 3-O-beta-D-glucoside	PhytoBank
β-Sitosterol 3-O-β-D-glucoside	PhytoBank
beta-Sitosterol 3-O-beta-glucopyranoside	PhytoBank
β-Sitosterol 3-O-β-glucopyranoside	PhytoBank
beta-Sitosterol 3-beta-D-glucopyranoside	PhytoBank
β-Sitosterol 3-β-D-glucopyranoside	PhytoBank
beta-Sitosterol D-glucopyranoside	PhytoBank
β-Sitosterol D-glucopyranoside	PhytoBank
beta-Sitosterol D-glucoside	PhytoBank
β-Sitosterol D-glucoside	PhytoBank
beta-Sitosterol O-glucoside	PhytoBank
β-Sitosterol O-glucoside	PhytoBank
beta-Sitosterol O-beta-D-glucoside	PhytoBank
β-Sitosterol O-β-D-glucoside	PhytoBank
beta-Sitosterol glucopyranoside	PhytoBank
β-Sitosterol glucopyranoside	PhytoBank
beta-Sitosterol monoglucoside	PhytoBank
β-Sitosterol monoglucoside	PhytoBank
beta-Sitosterol beta-D-glucopyranoside	PhytoBank
β-Sitosterol β-D-glucopyranoside	PhytoBank
beta-Sitosterol beta-D-glucoside	PhytoBank
β-Sitosterol β-D-glucoside	PhytoBank
beta-Sitosterol beta-D-glycopyranoside	PhytoBank
β-Sitosterol β-D-glycopyranoside	PhytoBank
beta-Sitosterol beta-glucopyranoside	PhytoBank
β-Sitosterol β-glucopyranoside	PhytoBank
beta-Sitosterol beta-glucoside	PhytoBank
β-Sitosterol β-glucoside	PhytoBank
beta-Sitosterol-3-glucoside	PhytoBank
β-Sitosterol-3-glucoside	PhytoBank
beta-Sitosteryl 3-O-glucoside	PhytoBank
β-Sitosteryl 3-O-glucoside	PhytoBank
beta-Sitosteryl 3-O-beta-D-glucopyranoside	PhytoBank
β-Sitosteryl 3-O-β-D-glucopyranoside	PhytoBank
beta-Sitosteryl 3-O-beta-D-glucoside	PhytoBank
β-Sitosteryl 3-O-β-D-glucoside	PhytoBank
beta-Sitosteryl 3-glucoside	PhytoBank
β-Sitosteryl 3-glucoside	PhytoBank
beta-Sitosteryl 3-beta-D-glucoside	PhytoBank
β-Sitosteryl 3-β-D-glucoside	PhytoBank
beta-Sitosteryl glucoside	PhytoBank
β-Sitosteryl glucoside	PhytoBank
beta-Sitosteryl beta-D-glucopyranoside	PhytoBank
β-Sitosteryl β-D-glucopyranoside	PhytoBank
beta-Sitosteryl beta-D-glucoside	PhytoBank
β-Sitosteryl β-D-glucoside	PhytoBank

Chemical Formula

C₃₅H₆₀O₆

Average Mass

576.8590 Da

Monoisotopic Mass

576.43899 Da

IUPAC Name

(2R,3R,4S,5S,6R)-2-{[(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

(2R,3R,4S,5S,6R)-2-{[(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])C([H])([H])C3=C([H])C([H])([H])[C@@]4([H])[C@]5([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4([H])[C@@]3(C([H])([H])[H])C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

InChI Identifier

InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1

InChI Key

NPJICTMALKLTFW-OFUAXYCQSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abies koreana	LOTUS Database	35616633
Acacia pennatula	LOTUS Database	35616633
Acacia suma	LOTUS Database	35616633
Acaena splendens	LOTUS Database	35616633
Acanthus ilicifolius	LOTUS Database	35616633
Acer mandshuricum	LOTUS Database	35616633
Aceraceae nikoense	-	KNApSAcK
Achillea ageratum	KNApSAcK Database	22123792
Achillea millefolium	LOTUS Database	35616633
Achlys triphylla	LOTUS Database	35616633
Acmella paniculata	LOTUS Database	35616633
Aconitum japonicum	LOTUS Database	35616633
Aconitum karakolicum	LOTUS Database	35616633
Acorus calamus	LOTUS Database	35616633
Acritopappus longifolius	LOTUS Database	35616633
Actaea cimicifuga	LOTUS Database	35616633
Actinidia chinensis	LOTUS Database	35616633
Actiniopteris australis	LOTUS Database	35616633
Adenophora stricta	LOTUS Database	35616633
Adenophora triphylla	LOTUS Database	35616633
Adhatoda vasica	LOTUS Database	35616633
Aeginetia indica	LOTUS Database	35616633
Aegle marmelos	LOTUS Database	35616633
Aesculus chinensis	LOTUS Database	35616633
African marigold	LOTUS Database	35616633
Agave americana	KNApSAcK Database	22123792
Aglaia elliptica	LOTUS Database	35616633
Aglaia foveolata	LOTUS Database	35616633
Aglaia odorata	LOTUS Database	35616633
Aglaia rubiginosa	KNApSAcK Database	22123792
Aglaomorpha quercifolia	LOTUS Database	35616633
Ailanthus altissima	LOTUS Database	35616633
Ailanthus triphysus	LOTUS Database	35616633
Ajania fruticulosa	KNApSAcK Database	22123792
Ajania nubigena	LOTUS Database	35616633
Ajuga taiwanensis	Plant	KNApSAcK
Alangium platanifolium	LOTUS Database	35616633
Alchornea cordifolia	KNApSAcK Database	22123792
Alchornea laxiflora	LOTUS Database	35616633
Alisma plantago-aquatica	LOTUS Database	35616633
Allagopappus dichotomus	LOTUS Database	35616633
Allagopappus viscosissimus	LOTUS Database	35616633
Allium cepa	LOTUS Database	35616633
Allium chinense	LOTUS Database	35616633
Allium fistulosum	LOTUS Database	35616633
Allium victorialis	LOTUS Database	35616633
Alnus japonica	LOTUS Database	35616633
Aloe vera	LOTUS Database	35616633
Alpinia blepharocalyx	KNApSAcK Database	22123792
Alpinia pinnanensis	KNApSAcK Database	22123792
Alpinia roxburghii	LOTUS Database	35616633
Alyxia sinensis	LOTUS Database	35616633
Amaranthus spinosus	LOTUS Database	35616633
Amsonia elliptica	LOTUS Database	35616633
Amsonia tomentosa	LOTUS Database	35616633
Anaphalis lactea	LOTUS Database	35616633
Anastatica hierochuntica	LOTUS Database	35616633
Anemone cernua	LOTUS Database	35616633
Anemone tomentosa	LOTUS Database	35616633
Angelica dahurica	LOTUS Database	35616633
Annona cherimola	LOTUS Database	35616633
Annona glabra	LOTUS Database	35616633
Annona montana	LOTUS Database	35616633
Annona purpurea	KNApSAcK Database	22123792
Anthocleista vogelii	LOTUS Database	35616633
Apis cerana	LOTUS Database	35616633
Apocynum venetum	LOTUS Database	35616633
Arachis hypogaea	LOTUS Database	35616633
Arachniodes standishii	LOTUS Database	35616633
Aralia elata	LOTUS Database	35616633
Aralia leschenaultii	LOTUS Database	35616633
Arctostaphylos patula	LOTUS Database	35616633
Ardisia elliptica	LOTUS Database	35616633
Arenaria kansuensis	LOTUS Database	35616633
Arisaema amurense	LOTUS Database	35616633
Aristolochia chamissonis	LOTUS Database	35616633
Aristolochia chilensis	LOTUS Database	35616633
Aristolochia clematitis	LOTUS Database	35616633
Aristolochia cucurbitifolia	LOTUS Database	35616633
Aristolochia elegans	LOTUS Database	35616633
Aristolochia heterophylla	LOTUS Database	35616633
Aristolochia kaempferi	KNApSAcK Database	22123792
Aristolochia liukiuensis	LOTUS Database	35616633
Aristolochia manshuriensis	LOTUS Database	35616633
Artabotrys uncinatus	KNApSAcK Database	22123792
Artemisia arborescens	LOTUS Database	35616633
Artemisia eriopoda	LOTUS Database	35616633
Artemisia feddei	LOTUS Database	35616633
Artemisia giraldii	LOTUS Database	35616633
Artemisia herba-alba	LOTUS Database	35616633
Artemisia igniaria	LOTUS Database	35616633
Artemisia keiskeana	LOTUS Database	35616633
Artemisia minor	KNApSAcK Database	22123792
Artemisia phaeolepis	LOTUS Database	35616633
Artemisia roxburghiana	LOTUS Database	35616633
Artemisia rubripes	LOTUS Database	35616633
Artemisia sieversiana	KNApSAcK Database	22123792
Arum italicum	LOTUS Database	35616633
Arundo donax	LOTUS Database	35616633
Asarum petelotii	LOTUS Database	35616633
Asimina parviflora	LOTUS Database	35616633
Asparagus adscendens	LOTUS Database	35616633
Asparagus officinalis	LOTUS Database	35616633
Asplenium indicum	LOTUS Database	35616633
Aster koraiensis	LOTUS Database	35616633
Aster tataricus	LOTUS Database	35616633
Asteriscus sericeus	LOTUS Database	35616633
Astilbe chinensis	LOTUS Database	35616633
Astilbe rubra	LOTUS Database	35616633
Astragalus coluteocarpus	LOTUS Database	35616633
Astragalus macropus	LOTUS Database	35616633
Astragalus mongholicus	LOTUS Database	35616633
Astragalus schahrudensis	LOTUS Database	35616633
Astragalus sieversianus	LOTUS Database	35616633
Astragalus tragacantha	LOTUS Database	35616633
Atractylodes macrocephala	LOTUS Database	35616633
Atropa acuminata	LOTUS Database	35616633
Azadirachta indica	LOTUS Database	35616633
Bacopa monnieri	LOTUS Database	35616633
Bahia pringlei	LOTUS Database	35616633
Balanophora abbreviata B1	KNApSAcK Database	22123792
Bauhinia forficata	LOTUS Database	35616633
Bauhinia purpurea	LOTUS Database	35616633
Begonia malabarica	LOTUS Database	35616633
Begonia nantoensis	KNApSAcK Database	22123792
Beilschmiedia zenkeri	KNApSAcK Database	22123792
Berberis pseudanubalata	KNApSAcK Database	22123792
Berchemia pakistanica	LOTUS Database	35616633
Berchemia racemosa	LOTUS Database	35616633
Betula alnoides	LOTUS Database	35616633
Bidens bipinnata	LOTUS Database	35616633
Biebersteinia heterostemon	LOTUS Database	35616633
Bituminaria bituminosa	LOTUS Database	35616633
Boerhavia diffusa	LOTUS Database	35616633
Borassus flabellifer	KNApSAcK Database	22123792
Boschniakia rossica	LOTUS Database	35616633
Brandisia hancei	LOTUS Database	35616633
Breynia fruticosa	LOTUS Database	35616633
Brosimum gaudichaudii	LOTUS Database	35616633
Brucea javanica	LOTUS Database	35616633
Bruguiera gymnorhiza	LOTUS Database	35616633
Bryonia alba	LOTUS Database	35616633
Buddleja fallowiana	LOTUS Database	35616633
Bulbophyllum odoratissimum	LOTUS Database	35616633
Bursera graveolens	LOTUS Database	35616633
Byrsonima crassifolia	LOTUS Database	35616633
Callicarpa macrophylla	KNApSAcK Database	22123792
Calophyllum polyanthum	LOTUS Database	35616633
Calycanthus chinensis	LOTUS Database	35616633
Calyptranthes pallens	LOTUS Database	35616633
Camellia japonica	LOTUS Database	35616633
Campylospermum flavum	LOTUS Database	35616633
Canella winterana	LOTUS Database	35616633
Capparis aegyptia	KNApSAcK Database	22123792
Capparis deserti	KNApSAcK Database	22123792
Capparis leucophylla	KNApSAcK Database	22123792
Capparis spinosa	LOTUS Database	35616633
Caraipa densifolia	LOTUS Database	35616633
Carpesium longifolium	LOTUS Database	35616633
Carpesium macrocephalum	LOTUS Database	35616633
Carthamus mareoticus	LOTUS Database	35616633
Carthamus tinctorius	LOTUS Database	35616633
Caryopteris tangutica	LOTUS Database	35616633
Casearia membranacea	LOTUS Database	35616633
Cassia fistula	LOTUS Database	35616633
Cassia javanica	KNApSAcK Database	22123792
Cassytha filiformis	LOTUS Database	35616633
Castanopsis fissa	LOTUS Database	35616633
Catha edulis	LOTUS Database	35616633
Cedrelopsis grevei	LOTUS Database	35616633
Cedrus deodara	LOTUS Database	35616633
Ceiba pentandra	LOTUS Database	35616633
Celastrus flagellaris	LOTUS Database	35616633
Celosia argentea	LOTUS Database	35616633
Centaurea arenaria	LOTUS Database	35616633
Centaurea aspera	LOTUS Database	35616633
Centaurea bracteata Scop.	KNApSAcK Database	22123792
Centaurea cadmea	LOTUS Database	35616633
Centaurea horrida	LOTUS Database	35616633
Centaurea imperialis	LOTUS Database	35616633
Centaurea jacea	LOTUS Database	35616633
Centaurea langei	LOTUS Database	35616633
Centaurea regia	LOTUS Database	35616633
Centella asiatica	LOTUS Database	35616633
Centrosema pubescens	KNApSAcK Database	22123792
Chaenomeles japonica	KNApSAcK Database	22123792
Chamaecyparis formosensis	LOTUS Database	35616633
Chenopodium ficifolium	LOTUS Database	35616633
Chione venosa	LOTUS Database	35616633
Chione venosa (sw.) Urban var.venosa	KNApSAcK Database	22123792
Chromolaena odorata	LOTUS Database	35616633
Chrysosplenium flagelliferum	LOTUS Database	35616633
Cinnamomum camphora	LOTUS Database	35616633
Cinnamomum kotoense	LOTUS Database	35616633
Cinnamomum subavenium	Plant	KNApSAcK
Cinnamomum tenuifolium	Plant	KNApSAcK
Cipadessa cinerascens	KNApSAcK Database	22123792
Cirsium palustre	LOTUS Database	35616633
Cistanche salsa	LOTUS Database	35616633
Citrullus colocynthis	LOTUS Database	35616633
Citrus hystrix	LOTUS Database	35616633
Citrus japonica	LOTUS Database	35616633
Citrus maxima	LOTUS Database	35616633
Clausena excavata	LOTUS Database	35616633
Clematis montana	LOTUS Database	35616633
Clerodendrum colebrookianum	LOTUS Database	35616633
Clusia nemorosa	KNApSAcK Database	22123792
Coelogyne ovalis	LOTUS Database	35616633
Combretum quadrangulare	KNApSAcK Database	22123792
Coniogramme japonica	LOTUS Database	35616633
Conyza bonariensis	LOTUS Database	35616633
Corchorus capsularis	LOTUS Database	35616633
Corchorus depressus	LOTUS Database	35616633
Corchorus olitorius	LOTUS Database	35616633
Cordia oncocalyx	LOTUS Database	35616633
Cordia trichotoma	LOTUS Database	35616633
Cornus capitata	LOTUS Database	35616633
Corymbia citriodora	LOTUS Database	35616633
Cousinia canescens	LOTUS Database	35616633
Crataegus flava	LOTUS Database	35616633
Crataegus pinnatifida	LOTUS Database	35616633
Crateva religiosa	LOTUS Database	35616633
Cratoxylum cochinchinense	LOTUS Database	35616633
Cremanthodium discoideum	LOTUS Database	35616633
Cremastra appendiculata	LOTUS Database	35616633
Crepis capillaris (L.) Wallr.	LOTUS Database	35616633
Croton cajucara	LOTUS Database	35616633
Croton glabellus	LOTUS Database	35616633
Croton laevigatus	LOTUS Database	35616633
Croton lechleri	LOTUS Database	35616633
Croton lechleri Mull.Arg.	KNApSAcK Database	22123792
Croton urucurana	LOTUS Database	35616633
Croton urucurana Baill.	KNApSAcK Database	22123792
Cryptolepis obtusa	JEOL database	Paulo, A., et al, Phytochemistry 53, 417(2000)
Cucumis sativus	LOTUS Database	35616633
Cullen corylifolium	LOTUS Database	35616633
Cuphea wrightii	LOTUS Database	35616633
Curculigo capitulata	KNApSAcK Database	22123792
Curculigo orchioides	LOTUS Database	35616633
Cyanotis arachnoidea	LOTUS Database	35616633
Cyathula officinalis	LOTUS Database	35616633
Cyclospermum leptophyllum	LOTUS Database	35616633
Cydonia oblonga	LOTUS Database	35616633
Cymbopogon martinii	LOTUS Database	35616633
Cynanchum bungei	LOTUS Database	35616633
Cynara humilis	LOTUS Database	35616633
Cynomorium songaricum	LOTUS Database	35616633
Dalbergia lanceolaria	LOTUS Database	35616633
Daphne oleoides	LOTUS Database	35616633
Datisca glomerata	LOTUS Database	35616633
Daucus carota	LOTUS Database	35616633
Delphinium venulosum	LOTUS Database	35616633
Dendrobium cariniferum	LOTUS Database	35616633
Dendrobium chryseum	LOTUS Database	35616633
Dendrobium nobile	Plant	KNApSAcK
Dendrobium nobile Lindl.	KNApSAcK Database	22123792
Dendrobium thyrsiflorum	LOTUS Database	35616633
Dendrobium tosaense	LOTUS Database	35616633
Dendropanax trifidus	LOTUS Database	35616633
Desmostachya bipinnata	LOTUS Database	35616633
Deutzia corymbosa	LOTUS Database	35616633
Dialium excelsum	LOTUS Database	35616633
Dianthus chinensis	LOTUS Database	35616633
Dicliptera riparia	KNApSAcK Database	22123792
Dimocarpus fumatus	LOTUS Database	35616633
Dioscorea bulbifera	LOTUS Database	35616633
Dioscorea membranacea	LOTUS Database	35616633
Dioscorea oppositifolia	LOTUS Database	35616633
Dioscorea spongiosa	KNApSAcK Database	22123792
Diospyros rhodocalyx	KNApSAcK Database	22123792
Dipsacus inermis	LOTUS Database	35616633
Dischidia formosana	LOTUS Database	35616633
Disporopsis aspera	KNApSAcK Database	22123792
Disporopsis aspersa	Plant	KNApSAcK
Dittrichia viscosa	Plant	KNApSAcK
Dodonaea viscosa	LOTUS Database	35616633
Dorstenia angusticornis	LOTUS Database	35616633
Dorstenia barteri	LOTUS Database	35616633
Dorstenia brasiliensis	LOTUS Database	35616633
Dorstenia elliptica	LOTUS Database	35616633
Dorstenia mannii	LOTUS Database	35616633
Dorstenia prorepens	LOTUS Database	35616633
Dorstenia psilurus	LOTUS Database	35616633
Dracaena cochinchinensis	LOTUS Database	35616633
Dryopteris crassirhizoma	KNApSAcK Database	22123792
Drypetes indica	LOTUS Database	35616633
Duhaldea cappa	Plant	KNApSAcK
Duranta erecta	LOTUS Database	35616633
Dysphania graveolens	LOTUS Database	35616633
Echinops echinatus	LOTUS Database	35616633
Echinops ritro	LOTUS Database	35616633
Eleusine indica	LOTUS Database	35616633
Eleutherococcus brachypus	LOTUS Database	35616633
Eleutherococcus sessiliflorus	LOTUS Database	35616633
Elliottia paniculata	LOTUS Database	35616633
Elsholtzia ciliata	LOTUS Database	35616633
Embelia ribes	LOTUS Database	35616633
Embelia ribes Burm.	KNApSAcK Database	22123792
Enhalus acoroides	KNApSAcK Database	22123792
Enkianthus campanulatus	LOTUS Database	35616633
Enkianthus cernuus	LOTUS Database	35616633
Entodon luridus	LOTUS Database	35616633
Ephedra sinica	KNApSAcK Database	22123792
Epimedium sagittatum	LOTUS Database	35616633
Eremurus chinensis	LOTUS Database	35616633
Erigeron canadensis	LOTUS Database	35616633
Eriogonum umbellatum	LOTUS Database	35616633
Ervatamia coronaria	LOTUS Database	35616633
Erycibe expansa	KNApSAcK Database	22123792
Erythrina sigmoidea	LOTUS Database	35616633
Eucalyptus camaldulensis	LOTUS Database	35616633
Eucalyptus camaldulensis var.obtusa	KNApSAcK Database	22123792
Eucalyptus globulus	LOTUS Database	35616633
Eucalyptus robusta	LOTUS Database	35616633
Eucalyptus saligna	LOTUS Database	35616633
Euchresta formosana	LOTUS Database	35616633
Eugenia sandwicensis	KNApSAcK Database	22123792
Euodia fargesii	LOTUS Database	35616633
Euodia hupehensis	LOTUS Database	35616633
Euonymus echinatus	LOTUS Database	35616633
Eupatorium macrocephalum Lee.	KNApSAcK Database	22123792
Euphorbia aleppica	LOTUS Database	35616633
Euphorbia boetica	KNApSAcK Database	22123792
Euphorbia dendroides	LOTUS Database	35616633
Euphorbia ebracteolata	LOTUS Database	35616633
Euphorbia esula	LOTUS Database	35616633
Euphorbia kansui	LOTUS Database	35616633
Euphorbia lanata	KNApSAcK Database	22123792
Euphorbia macroclada	LOTUS Database	35616633
Euphorbia rothiana	LOTUS Database	35616633
Euphorbia tinctoria	KNApSAcK Database	22123792
Euptelea polyandra	LOTUS Database	35616633
Eurycoma longifolia	LOTUS Database	35616633
Evolvulus nummularius	LOTUS Database	35616633
Eysenhardtia platycarpa	LOTUS Database	35616633
Fagopyrum tataricum	LOTUS Database	35616633
Fatsia japonica	LOTUS Database	35616633
Ferula persica	KNApSAcK Database	22123792
Fibraurea tinctoria	LOTUS Database	35616633
Ficus conraui	LOTUS Database	35616633
Ficus glumosa	LOTUS Database	35616633
Ficus lyrata	LOTUS Database	35616633
Ficus microcarpa	LOTUS Database	35616633
Ficus mucuso	LOTUS Database	35616633
Ficus pandurata	LOTUS Database	35616633
Ficus polita	LOTUS Database	35616633
Ficus pumila	LOTUS Database	35616633
Ficus sagittata	LOTUS Database	35616633
Ficus septica	KNApSAcK Database	22123792
Flacourtia indica	LOTUS Database	35616633
Flavoparmelia caperata	LOTUS Database	35616633
Flemingia macrophylla	-	KNApSAcK
Flemingia stricta	LOTUS Database	35616633
Flueggea tinctoria	LOTUS Database	35616633
Flueggea virosa	LOTUS Database	35616633
Foeniculum vulgare	LOTUS Database	35616633
Forsythia suspensa	LOTUS Database	35616633
Fraxinus malacophylla	LOTUS Database	35616633
Fraxinus ornus	LOTUS Database	35616633
Fritillaria thunbergii	LOTUS Database	35616633
Fritillaria verticillata	LOTUS Database	35616633
Galega officinalis	LOTUS Database	35616633
Galphimia glauca	LOTUS Database	35616633
Ganoderma applanatum	LOTUS Database	35616633
Garcinia griffithii	KNApSAcK Database	22123792
Gastrodia elata	LOTUS Database	35616633
Gentiana algida	LOTUS Database	35616633
Gentiana lutea	Plant	KNApSAcK
Gentiana lutea L.	KNApSAcK Database	22123792
Gentiana macrophylla	LOTUS Database	35616633
Gentiana scabra	LOTUS Database	35616633
Gentiana siphonantha	LOTUS Database	35616633
Gentiana tibetica	LOTUS Database	35616633
Geranium macrorrhizum L.	KNApSAcK Database	22123792
Glochidion zeylanicum	LOTUS Database	35616633
Gnetum cleistostachyum	KNApSAcK Database	22123792
Gnetum montanum	LOTUS Database	35616633
Gnetum pendulum C.Y.	KNApSAcK Database	22123792
Goniothalamus sesquipedalis	LOTUS Database	35616633
Gonocaryum calleryanum	LOTUS Database	35616633
Gonospermum elegans	KNApSAcK Database	22123792
Gonospermum ferulaceum	LOTUS Database	35616633
Grewia bicolor Juss.	LOTUS Database	35616633
Guaiacum officinale	LOTUS Database	35616633
Gymnopetalum integrifolium	KNApSAcK Database	22123792
Gymnotheca involucrata	LOTUS Database	35616633
Gynura japonica	LOTUS Database	35616633
Halenia elliptica	LOTUS Database	35616633
Halimodendron halodendron	LOTUS Database	35616633
Halocharis hispida	LOTUS Database	35616633
Hansenia weberbaueriana	LOTUS Database	35616633
Harrisonia perforata	LOTUS Database	35616633
Hebanthe eriantha	LOTUS Database	35616633
Hedera nepalensis	LOTUS Database	35616633
Hedera nepalensis K.Koch	KNApSAcK Database	22123792
Hedera rhombea	LOTUS Database	35616633
Hedychium coronarium	LOTUS Database	35616633
Helianthus annuus	LOTUS Database	35616633
Helianthus radula	LOTUS Database	35616633
Helichrysum arenarium	LOTUS Database	35616633
Helichrysum stoechas	LOTUS Database	35616633
Helicteres angustifolia	LOTUS Database	35616633
Helicteres isora	LOTUS Database	35616633
Heliotropium indicum	LOTUS Database	35616633
Helwingia chinensis	LOTUS Database	35616633
Heptapleurum venulosum	LOTUS Database	35616633
Heracleum granatense	KNApSAcK Database	22123792
Heracleum wolongense	LOTUS Database	35616633
Heteropanax fragrans	LOTUS Database	35616633
Hibiscus moscheutos	LOTUS Database	35616633
Hibiscus taiwanensis	KNApSAcK Database	22123792
Hoodia gordonii	LOTUS Database	35616633
Houttuynia cordata	LOTUS Database	35616633
Humulus lupulus	LOTUS Database	35616633
Hydrangea chinensis	KNApSAcK Database	22123792
Hydrastis canadensis	LOTUS Database	35616633
Hymenaea martiana	LOTUS Database	35616633
Hymenidium davidii	LOTUS Database	35616633
Hymenodictyon floribundum	LOTUS Database	35616633
Hyoscyamus niger	Plant	KNApSAcK
Hypericum erectum	LOTUS Database	35616633
Hypericum geminiflorum	LOTUS Database	35616633
Hypericum monogynum	LOTUS Database	35616633
Hypericum perforatum	LOTUS Database	35616633
Hyptis brevipes	KNApSAcK Database	22123792
Hyptis suaveolens	LOTUS Database	35616633
Icacina senegalensis	LOTUS Database	35616633
Incarvillea delavayi	LOTUS Database	35616633
Inula cappa	KNApSAcK Database	22123792
Inula grantioides	LOTUS Database	35616633
Inula japonica	LOTUS Database	35616633
Inula racemosa	KNApSAcK Database	22123792
Inula viscosa	KNApSAcK Database	22123792
Iostephane heterophylla	LOTUS Database	35616633
Iphiona scabra	LOTUS Database	35616633
Ipomoea carnea	LOTUS Database	35616633
Ipomoea nil	Plant	KNApSAcK
Iresine diffusa	LOTUS Database	35616633
Iris domestica	LOTUS Database	35616633
Iris leptophylla	LOTUS Database	35616633
Iris tectorum	LOTUS Database	35616633
Isodon angustifolius	LOTUS Database	35616633
Isodon coetsa	LOTUS Database	35616633
Isodon glutinosus	LOTUS Database	35616633
Isodon japonicus	LOTUS Database	35616633
Isodon phyllostachys	KNApSAcK Database	22123792
Isodon rubescens	LOTUS Database	35616633
Isodon sculponeatus	LOTUS Database	35616633
Isodon umbrosus	LOTUS Database	35616633
Ixora coccinea	LOTUS Database	35616633
Jatropha maheshwarii	LOTUS Database	35616633
Juncus effusus	LOTUS Database	35616633
Juniperus formosana	LOTUS Database	35616633
Jurinea deltoidea	LOTUS Database	35616633
Justicia diffusa	LOTUS Database	35616633
Justicia flava	LOTUS Database	35616633
Kadsura ananosma	LOTUS Database	35616633
Kadsura heteroclita	KNApSAcK Database	22123792
Kaempferia angustifolia	LOTUS Database	35616633
Khaya anthotheca	KNApSAcK Database	22123792
Khaya senegalensis	LOTUS Database	35616633
Koelreuteria paniculata	LOTUS Database	35616633
Koenigia coriaria	LOTUS Database	35616633
Krameria bicolor	LOTUS Database	35616633
Lactuca sativa	LOTUS Database	35616633
Lagerstroemia speciosa	LOTUS Database	35616633
Lagotis yunnanensis	LOTUS Database	35616633
Lantana camara	KNApSAcK Database	22123792
Laportea ovalifolia	LOTUS Database	35616633
Lavandula canariensis	LOTUS Database	35616633
Lawsonia inermis	LOTUS Database	35616633
Leontopodium nanum	LOTUS Database	35616633
Lepechinia caulescens	LOTUS Database	35616633
Leptopus chinensis	LOTUS Database	35616633
Leucas inflata	LOTUS Database	35616633
Liatris aspera	LOTUS Database	35616633
Licania pyrifolia	LOTUS Database	35616633
Licaria triandra	LOTUS Database	35616633
Ligularia atroviolacea	LOTUS Database	35616633
Ligularia dolichobotrys	LOTUS Database	35616633
Ligularia duciformis	LOTUS Database	35616633
Ligularia hodgsonii	LOTUS Database	35616633
Ligularia intermedia	LOTUS Database	35616633
Ligularia macrophylla	LOTUS Database	35616633
Ligularia sagitta	LOTUS Database	35616633
Ligularia tongolensis	LOTUS Database	35616633
Ligusticum porteri	LOTUS Database	35616633
Ligustrum obtusifolium	LOTUS Database	35616633
Lilium brownii	LOTUS Database	35616633
Lilium candidum	LOTUS Database	35616633
Limonium axillare	LOTUS Database	35616633
Limonium wrightii	LOTUS Database	35616633
Linaria vulgaris	LOTUS Database	35616633
Lindera communis	LOTUS Database	35616633
Lindera glauca	LOTUS Database	35616633
Linum usitatissimum	LOTUS Database	35616633
Liriope spicata	LOTUS Database	35616633
Lonicera hypoleuca	LOTUS Database	35616633
Lotus creticus	LOTUS Database	35616633
Lupinus pubescens	LOTUS Database	35616633
Lyonia ovalifolia	LOTUS Database	35616633
Lysimachia japonica	LOTUS Database	35616633
Macfadyena unguis-cati	LOTUS Database	35616633
Machilus japonica	LOTUS Database	35616633
Machilus zuihoensis	KNApSAcK Database	22123792
Macrococculus pomiferus	KNApSAcK Database	22123792
Maesopsis eminii	LOTUS Database	35616633
Magnolia grandiflora	LOTUS Database	35616633
Magnolia obovata	KNApSAcK Database	22123792
Magnolia sieboldii	LOTUS Database	35616633
Mallotus apelta	LOTUS Database	35616633
Mallotus repandus	LOTUS Database	35616633
Mandevilla martiana	LOTUS Database	35616633
Mandragora officinarum	LOTUS Database	35616633
Mangifera indica	LOTUS Database	35616633
Manglietiastrum sinicum	LOTUS Database	35616633
Maquira coriacea	LOTUS Database	35616633
Marrubium anisodon	LOTUS Database	35616633
Matricaria chamomilla	LOTUS Database	35616633
Maytenus diversifolia	LOTUS Database	35616633
Melia azedarach	LOTUS Database	35616633
Melianthus major	KNApSAcK Database	22123792
Melicope micrococca	LOTUS Database	35616633
Melochia tomentosa	LOTUS Database	35616633
Millettia conraui	KNApSAcK Database	22123792
Mimosa tenuiflora	LOTUS Database	35616633
Mimusops elengi	LOTUS Database	35616633
Mirabilis himalaica	LOTUS Database	35616633
Mitragyna inermis	Plant	KNApSAcK
Mitragyna rotundifolia	Plant	KNApSAcK
Mitragyna speciosa	Plant	KNApSAcK
Mitragyna stipulosa	Plant	KNApSAcK
Molineria capitulata	LOTUS Database	35616633
Mollugo oppositifolia	LOTUS Database	35616633
Monochaetum vulcanicum	LOTUS Database	35616633
Morinda citrifolia	KNApSAcK Database	22123792
Morinda officinalis	Plant	KNApSAcK
Moringa oleifera	Plant	KNApSAcK
Moringa peregrina	Plant	KNApSAcK
Morus alba	LOTUS Database	35616633
Morus insignis	KNApSAcK Database	22123792
Mosla dianthera	LOTUS Database	35616633
Mosla soochowensis	LOTUS Database	35616633
Musa paradisiaca	LOTUS Database	35616633
Mutisia acerosa	LOTUS Database	35616633
Myrianthus arboreus	KNApSAcK Database	22123792
Nardostachys jatamansi	LOTUS Database	35616633
Nauclea orientalis	LOTUS Database	35616633
Nealchornea yapurensis	LOTUS Database	35616633
Nelumbo nucifera	LOTUS Database	35616633
Neolitsea acuminatissima	Plant	KNApSAcK
Neolitsea hiiranensis	LOTUS Database	35616633
Nepeta tuberosa	LOTUS Database	35616633
Newbouldia laevis	KNApSAcK Database	22123792
Nicotiana glauca	LOTUS Database	35616633
Nothapodytes nimmoniana	LOTUS Database	35616633
Notopterygium franchetii	LOTUS Database	35616633
Nuxia sphaerocephala	KNApSAcK Database	22123792
Nyctanthes arbor-tristis	LOTUS Database	35616633
Nymphaea elegans	LOTUS Database	35616633
Ochna afzelii	LOTUS Database	35616633
Ocimum tenuiflorum	LOTUS Database	35616633
Oenothera biennis	LOTUS Database	35616633
Oldenlandia corymbosa	LOTUS Database	35616633
Oldenlandia herbacea	LOTUS Database	35616633
Oligochaeta divaricata	LOTUS Database	35616633
Onychium contiguum	LOTUS Database	35616633
Onychium japonicum	LOTUS Database	35616633
Ophiopogon intermedius	LOTUS Database	35616633
Ophiopogon jaburan	LOTUS Database	35616633
Ophiopogon planiscapus	LOTUS Database	35616633
Ophiorrhiza kuroiwai	LOTUS Database	35616633
Ophiorrhiza liukiuensis	KNApSAcK Database	22123792
Ophiorrhiza pumila	LOTUS Database	35616633
Orchis hatagirea	LOTUS Database	35616633
Oreocnide frutescens	LOTUS Database	35616633
Osbeckia chinensis	LOTUS Database	35616633
Osmanthus fortunei	LOTUS Database	35616633
Osmanthus heterophyllus	LOTUS Database	35616633
Otanthus maritimus	LOTUS Database	35616633
Ouratea castaneifolia	LOTUS Database	35616633
Oxyanthus pallidus	LOTUS Database	35616633
Packera hartiana	LOTUS Database	35616633
Paeonia suffruticosa	KNApSAcK Database	22123792
Paliurus hemsleyanus	LOTUS Database	35616633
Panax ginseng	LOTUS Database	35616633
Panax Japonicus	LOTUS Database	35616633
Panax notoginseng	KNApSAcK Database	22123792
Panax pseudoginseng	LOTUS Database	35616633
Panax vietnamensis	LOTUS Database	35616633
Paris polyphylla	LOTUS Database	35616633
Parthenium hysterophorus	LOTUS Database	35616633
Paspalum scrobiculatum	LOTUS Database	35616633
Passiflora oerstedii	LOTUS Database	35616633
Patrinia rupestris	LOTUS Database	35616633
Paullinia pinnata	LOTUS Database	35616633
Pedalium murex	LOTUS Database	35616633
Pelargonium reniforme	KNApSAcK Database	22123792
Pellionia repens	LOTUS Database	35616633
Peltophorum dubium	LOTUS Database	35616633
Penianthus zenkeri	LOTUS Database	35616633
Peperomia leptostachya	LOTUS Database	35616633
Perilla frutescens	LOTUS Database	35616633
Periploca nigrescens	LOTUS Database	35616633
Periploca sepium	LOTUS Database	35616633
Peristrophe japonica	LOTUS Database	35616633
Persicaria lapathifolia	LOTUS Database	35616633
Petasites formosanus	LOTUS Database	35616633
Peucedanum praeruptorum	LOTUS Database	35616633
Pharbitis nil	KNApSAcK Database	22123792
Phlomoides hamosa	LOTUS Database	35616633
Phlomoides tuberosa	LOTUS Database	35616633
Phoradendron reichenbachianum	LOTUS Database	35616633
Phyllanthus oligospermus	KNApSAcK Database	22123792
Physalis minima	LOTUS Database	35616633
Physalis peruviana	LOTUS Database	35616633
Physalis sordida	LOTUS Database	35616633
Picea neoveitchii	LOTUS Database	35616633
Picramnia antidesma	LOTUS Database	35616633
Picramnia hirsuta	LOTUS Database	35616633
Picramnia latifolia	KNApSAcK Database	22123792
Pileostegia viburnoides var. glabrescens	KNApSAcK Database	22123792
Pinalia floribunda	LOTUS Database	35616633
Pinus sylvestris	LOTUS Database	35616633
Piper longum	LOTUS Database	35616633
Piper methysticum	LOTUS Database	35616633
Piper nigrum	LOTUS Database	35616633
Piper nigrum L.	KNApSAcK Database	22123792
Piper pedicellatum	LOTUS Database	35616633
Piper schmidtii	LOTUS Database	35616633
Piper umbellatum	KNApSAcK Database	22123792
Piptadenia macrocarpa	KNApSAcK Database	22123792
Platycladus orientalis	LOTUS Database	35616633
Platycodon grandiflorus	LOTUS Database	35616633
Pluchea dioscorides	LOTUS Database	35616633
Pluchea lanceolata	LOTUS Database	35616633
Plumbago zeylanica	LOTUS Database	35616633
Plumeria rubra	LOTUS Database	35616633
Poa huecu	LOTUS Database	35616633
Podanthus mitiqui	LOTUS Database	35616633
Polyalthia suberosa	LOTUS Database	35616633
Polygonatum kingianum	LOTUS Database	35616633
Polygonum nepalense	LOTUS Database	35616633
Polyscias fulva	LOTUS Database	35616633
Pongamia pinnata	LOTUS Database	35616633
Poraqueiba guianensis	LOTUS Database	35616633
Prangos ferulacea	LOTUS Database	35616633
Prangos pabularia	LOTUS Database	35616633
Primula macrophylla	LOTUS Database	35616633
Prinsepia utilis	LOTUS Database	35616633
Protium heptaphyllum	LOTUS Database	35616633
Prunella vulgaris	LOTUS Database	35616633
Prunus africana	LOTUS Database	35616633
Prunus armeniaca	LOTUS Database	35616633
Prunus cornuta	LOTUS Database	35616633
Prunus davidiana	LOTUS Database	35616633
Prunus dulcis	LOTUS Database	35616633
Prunus persica	LOTUS Database	35616633
Prunus zippeliana	LOTUS Database	35616633
Psacalium megaphyllum	LOTUS Database	35616633
Psidium cattleianum	LOTUS Database	35616633
Psidium guajava	KNApSAcK Database	22123792
Psittacanthus cucullaris	KNApSAcK Database	22123792
Psychotria correae	LOTUS Database	35616633
Pteridium aquilinum	KNApSAcK Database	22123792
Pteris ensiformis	LOTUS Database	35616633
Pteris multifida	KNApSAcK Database	22123792
Pterospermum xylocarpum	LOTUS Database	35616633
Ptilostemon chamaepeuce	LOTUS Database	35616633
Pueraria montana	LOTUS Database	35616633
Pulicaria incisa	LOTUS Database	35616633
Pulicaria laciniata	LOTUS Database	35616633
Punica granatum	KNApSAcK Database	22123792
Pycnanthus angolensis	LOTUS Database	35616633
Pygeum topengii	LOTUS Database	35616633
Pyrrosia petiolosa	LOTUS Database	35616633
Pyrus communis	LOTUS Database	35616633
Ranunculus laetus	LOTUS Database	35616633
Raphanus sativus	KNApSAcK Database	22123792
Reissantia buchananii	LOTUS Database	35616633
Reseda suffruticosa	LOTUS Database	35616633
Retrophyllum rospigliosii	LOTUS Database	35616633
Rhamnus wightii	LOTUS Database	35616633
Rheum sublanceolatum	LOTUS Database	35616633
Rhinacanthus nasutus	LOTUS Database	35616633
Rhizophora apiculata	LOTUS Database	35616633
Rhodiola fastigiata	LOTUS Database	35616633
Rhodiola linearifolia	LOTUS Database	35616633
Rhodiola rosea	LOTUS Database	35616633
Rhodiola sachalinensis	LOTUS Database	35616633
Rhododendron barbatum	LOTUS Database	35616633
Rhododendron latoucheae	LOTUS Database	35616633
Rhus wallichi	KNApSAcK Database	22123792
Robinsonecio gerberifolius	KNApSAcK Database	22123792
Rohdea chinensis	LOTUS Database	35616633
Roldana angulifolia	LOTUS Database	35616633
Roldana lobata	LOTUS Database	35616633
Rorippa indica	LOTUS Database	35616633
Rosa bella	LOTUS Database	35616633
Rosa davidii	LOTUS Database	35616633
Rosa laevigata	LOTUS Database	35616633
Rosa taiwanensis	LOTUS Database	35616633
Rosa transmorrisonensis	LOTUS Database	35616633
Roscoea purpurea	LOTUS Database	35616633
Rourea minor	KNApSAcK Database	22123792
Rubia argyi	LOTUS Database	35616633
Rubia cordifolia	LOTUS Database	35616633
Rubia yunnanensis	LOTUS Database	35616633
Rubus coreanus	LOTUS Database	35616633
Rubus ellipticus	KNApSAcK Database	22123792
Rubus pungens	LOTUS Database	35616633
Ruellia patula	LOTUS Database	35616633
Rumex nepalensis	Plant	KNApSAcK
Ruscus aculeatus	LOTUS Database	35616633
Sagittaria trifolia	LOTUS Database	35616633
Salsola collina	LOTUS Database	35616633
Salvadora persica	LOTUS Database	35616633
Salvia aegyptiaca	LOTUS Database	35616633
Salvia aethiopis	KNApSAcK Database	22123792
Salvia bucharica	LOTUS Database	35616633
Salvia caespitosa	LOTUS Database	35616633
Salvia canariensis L.	KNApSAcK Database	22123792
Salvia deserta	LOTUS Database	35616633
Salvia eriophora	LOTUS Database	35616633
Salvia longistyla	LOTUS Database	35616633
Salvia macrosiphon	LOTUS Database	35616633
Salvia moorcroftiana	LOTUS Database	35616633
Salvia palaestina	LOTUS Database	35616633
Salvia sahendica	LOTUS Database	35616633
Salvia staminea	LOTUS Database	35616633
Salvia tomentosa	LOTUS Database	35616633
Salvia trijuga	LOTUS Database	35616633
Salvia verbenaca	LOTUS Database	35616633
Salvia verticillata	LOTUS Database	35616633
Sambucus nigra	LOTUS Database	35616633
Sanguisorba alpina	LOTUS Database	35616633
Sanguisorba officinalis	LOTUS Database	35616633
Santolina chamaecyparissus	LOTUS Database	35616633
Sapium haematospermum	LOTUS Database	35616633
Saraca asoca	KNApSAcK Database	22123792
Sarcocephalus latifolius	LOTUS Database	35616633
Sargentodoxa cuneata	LOTUS Database	35616633
Satureja acinos	KNApSAcK Database	22123792
Satureja montana	LOTUS Database	35616633
Sauromatum giganteum	LOTUS Database	35616633
Saussurea controversa	LOTUS Database	35616633
Saussurea costus	LOTUS Database	35616633
Saussurea involucrata	LOTUS Database	35616633
Saussurea medusa	LOTUS Database	35616633
Saussurea parviflora	LOTUS Database	35616633
Scaphium affine	LOTUS Database	35616633
Schefflera capitata Harms.	KNApSAcK Database	22123792
Schnabelia tetradonta	KNApSAcK Database	22123792
Scorzonera cretica	LOTUS Database	35616633
Scorzonera hispanica	LOTUS Database	35616633
Scrophularia ningpoensis	Plant	KNApSAcK
Scutellaria amoena	LOTUS Database	35616633
Scutellaria galericulata	LOTUS Database	35616633
Scutellaria lateriflora	LOTUS Database	35616633
Semialarium mexicanum	LOTUS Database	35616633
Senecio bonariensis	LOTUS Database	35616633
Senecio chionophilus	KNApSAcK Database	22123792
Senna alata	LOTUS Database	35616633
Senna auriculata	LOTUS Database	35616633
Serenoa repens	LOTUS Database	35616633
Sida spinosa	LOTUS Database	35616633
Sigesbeckia glabrescens	LOTUS Database	35616633
Sigesbeckia pubescens	LOTUS Database	35616633
Simaba orinocensis	LOTUS Database	35616633
Sinapis arvensis	LOTUS Database	35616633
Sinopodophyllum hexandrum	LOTUS Database	35616633
Siphoneugena densiflora	LOTUS Database	35616633
Smallanthus maculatus	LOTUS Database	35616633
Smilax china	KNApSAcK Database	22123792
Smilax lebrunii	LOTUS Database	35616633
Smilax perfoliata	LOTUS Database	35616633
Solanum chrysotrichum	LOTUS Database	35616633
Solanum crispum	LOTUS Database	35616633
Solanum indicum	LOTUS Database	35616633
Solanum melongena	LOTUS Database	35616633
Solanum sisymbriifolium	LOTUS Database	35616633
Solanum virginianum	LOTUS Database	35616633
Soroseris hookeriana	LOTUS Database	35616633
Sparganium eurycarpum	LOTUS Database	35616633
Sparganium stoloniferum	LOTUS Database	35616633
Spartina cynosuroides	LOTUS Database	35616633
Spathelia excelsa	LOTUS Database	35616633
Spathodea campanulata	LOTUS Database	35616633
Sphaerophysa salsula	LOTUS Database	35616633
Sphagneticola trilobata	LOTUS Database	35616633
Spiraea formosana	KNApSAcK Database	22123792
Stellaria media	LOTUS Database	35616633
Stellera chamaejasme	LOTUS Database	35616633
Stenochlaena palustris	KNApSAcK Database	22123792
Stifftia chrysantha	LOTUS Database	35616633
Streblus asper	LOTUS Database	35616633
Strobilanthes yunnanensis	LOTUS Database	35616633
Swartzia brachyrachis	KNApSAcK Database	22123792
Swertia punicea	LOTUS Database	35616633
Symplocos racemosa	LOTUS Database	35616633
Syringa reticulata	LOTUS Database	35616633
Syzygium aromaticum	KNApSAcK Database	22123792
Syzygium sandwicense	LOTUS Database	35616633
Tabernaemontana laeta Mart.	LOTUS Database	35616633
Tadehagi triquetrum	LOTUS Database	35616633
Tanacetum vulgare	LOTUS Database	35616633
Taraxacum formosanum	KNApSAcK Database	22123792
Taraxacum mongolicum	LOTUS Database	35616633
Taraxacum officinale	LOTUS Database	35616633
Taxus mairei	LOTUS Database	35616633
Taxus wallichiana	KNApSAcK Database	22123792
Tecoma stans	LOTUS Database	35616633
Tectona grandis	LOTUS Database	35616633
Tephrosia candida	LOTUS Database	35616633
Terminalia chebula	LOTUS Database	35616633
Terminalia glabrescens	LOTUS Database	35616633
Tetracentron sinense	KNApSAcK Database	22123792
Tetracera asiatica	LOTUS Database	35616633
Tetraena coccinea	LOTUS Database	35616633
Tetrapanax papyrifer	LOTUS Database	35616633
Thalictrum aquilegifolium	LOTUS Database	35616633
Thalictrum atriplex	LOTUS Database	35616633
Thalictrum simplex	LOTUS Database	35616633
Thulinella chrysantha	LOTUS Database	35616633
Tinospora sinensis	LOTUS Database	35616633
Tithonia longiradiata	LOTUS Database	35616633
Tolpis webbii	LOTUS Database	35616633
Toona ciliata	LOTUS Database	35616633
Toona sinensis	KNApSAcK Database	22123792
Triadica sebifera	LOTUS Database	35616633
Trianthema portulacastrum	LOTUS Database	35616633
Tribulus terrestris	LOTUS Database	35616633
Trichilia claussenii	LOTUS Database	35616633
Trichilia elegans	LOTUS Database	35616633
Trichilia emetica	LOTUS Database	35616633
Trichosanthes tricuspidata	LOTUS Database	35616633
Tridax procumbens	LOTUS Database	35616633
Trifolium resupinatum	KNApSAcK Database	22123792
Triplostegia grandiflora	LOTUS Database	35616633
Tripterygium hypoglaucum	LOTUS Database	35616633
Triumfetta cordifolia	LOTUS Database	35616633
Trollius chinensis	LOTUS Database	35616633
Typha angustifolia	LOTUS Database	35616633
Uncaria hirsuta	LOTUS Database	35616633
Uncaria tomentosa	LOTUS Database	35616633
Urceola rosea	LOTUS Database	35616633
Vaccinium macrocarpon	LOTUS Database	35616633
Veratrum album	KNApSAcK Database	22123792
Veratrum mengtzeanum	LOTUS Database	35616633
Verbascum songaricum	LOTUS Database	35616633
Verbena brasiliensis	LOTUS Database	35616633
Verbena brasiliensis VELL	KNApSAcK Database	22123792
Verbena officinalis	Plant	KNApSAcK
Vernonia cumingiana	LOTUS Database	35616633
Viburnum cylindricum	LOTUS Database	35616633
Viburnum dilatatum	LOTUS Database	35616633
Viburnum furcatum	LOTUS Database	35616633
Viburnum jucundum	LOTUS Database	35616633
Viburnum suspensum	LOTUS Database	35616633
Vigna unguiculata	LOTUS Database	35616633
Viguiera decurrens	KNApSAcK Database	22123792
Virola michelii	LOTUS Database	35616633
Viscum album	LOTUS Database	35616633
Viscum coloratum	KNApSAcK Database	22123792
Vitex negundo	LOTUS Database	35616633
Vitex quinata	LOTUS Database	35616633
Vitex trifolia	KNApSAcK Database	22123792
Vochysia ferruginea	LOTUS Database	35616633
Warburgia stuhlmannii	LOTUS Database	35616633
Withania coagulans	LOTUS Database	35616633
Withania somnifera	KNApSAcK Database	22123792
Xanthium sibiricum	LOTUS Database	35616633
Xylocarpus granatum	KNApSAcK Database	22123792
Xylopia aethiopica	LOTUS Database	35616633
Zanthoxylum ailanthoides	LOTUS Database	35616633
Zanthoxylum armatum	KNApSAcK Database	22123792
Zanthoxylum bungeanum	LOTUS Database	35616633
Zanthoxylum monophyllum	LOTUS Database	35616633
Zanthoxylum piasezkii	LOTUS Database	35616633
Zingiber aromaticum	KNApSAcK Database	22123792
Ziziphora tenuior	LOTUS Database	35616633
Ziziphus jujuba	LOTUS Database	35616633
Ziziphus spina-christi	LOTUS Database	35616633
Zygophyllum simplex	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	673.60 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	5.2e-05 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	8.615 (est)	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
logP	5.71	ALOGPS
logP	6.07	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	99.38 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	162.18 m³·mol⁻¹	ChemAxon
Polarizability	70.49 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00019308

Chemspider ID

4674825

KEGG Compound ID

Not Available

BioCyc ID

CPD-11608

BiGG ID

Not Available

Wikipedia Link

Daucosterol

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

67554

Good Scents ID

rw1033511

References

General References

Hao X, Zhang J, Xia G, Xue Y, Luo Z, Si Y, Yao G, Zhang Y: A new triterpenoid from Teucrium viscidum. Molecules. 2013 Jan 21;18(1):1262-9. doi: 10.3390/molecules18011262. [PubMed:23337296 ]
Xiao SJ, He DH, Ding LS, Zhou Y, Chen F: [Triterpenes from aerial parts of Clematoclethra scandens subsp. actinidioides]. Zhongguo Zhong Yao Za Zhi. 2013 Feb;38(3):358-61. [PubMed:23668009 ]
Tong YB, Wang WJ, Li GQ, Yuan JQ, Zhang XQ, Ye WC: [Chemical constituents from the twigs and leaves of Melodinus suaveolens]. Zhong Yao Cai. 2013 Mar;36(3):398-401. [PubMed:24010320 ]
Yuan XL, Yan LH, Zhang QW, Wang ZM: [Chemical constituents from fungus Armillaria mellea]. Zhongguo Zhong Yao Za Zhi. 2013 Aug;38(16):2671-4. [PubMed:24228585 ]
Xie JX, Ji Z: [The chemical constituents of the Chinese drug "Yadanzi." I. Isolation and identification of daucosterol, brucein D and brucein E (author's transl)]. Yao Xue Xue Bao. 1981 Jan;16(1):53-5. [PubMed:7246155 ]
Paulo, A., et al. (2000). Paulo, A., et al, Phytochemistry 53, 417(2000). Phytochem..

Showing NP-Card for beta-sitosteryl-3-O-beta-glucopiranoside (NP0029729)

MOL for NP0029729 (beta-sitosteryl-3-O-beta-glucopiranoside)

3D MOL for NP0029729 (beta-sitosteryl-3-O-beta-glucopiranoside)

3D SDF for NP0029729 (beta-sitosteryl-3-O-beta-glucopiranoside)

3D-SDF for NP0029729 (beta-sitosteryl-3-O-beta-glucopiranoside)

PDB for NP0029729 (beta-sitosteryl-3-O-beta-glucopiranoside)

3D PDB for NP0029729 (beta-sitosteryl-3-O-beta-glucopiranoside)

SMILES for NP0029729 (beta-sitosteryl-3-O-beta-glucopiranoside)

INCHI for NP0029729 (beta-sitosteryl-3-O-beta-glucopiranoside)

Structure for NP0029729 (beta-sitosteryl-3-O-beta-glucopiranoside)

3D Structure for NP0029729 (beta-sitosteryl-3-O-beta-glucopiranoside)