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Showing NP-Card for kaempferol 3-glucoside (NP0030630)

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Record Information
Version2.0
Created at2021-06-19 21:56:07 UTC
Updated at2021-08-20 00:00:19 UTC
NP-MRD IDNP0030630
Secondary Accession NumbersNone
Natural Product Identification
Common Namekaempferol 3-glucoside
Provided ByJEOL DatabaseJEOL Logo
DescriptionAstragalin belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Thus, astragalin is considered to be a flavonoid. Astragalin is found, on average, in the highest concentration within a few different foods, such as yellow wax beans (Phaseolus vulgaris), green beans (Phaseolus vulgaris), and common beans (Phaseolus vulgaris) and in a lower concentration in almonds (Prunus dulcis), strawberries (Fragaria X ananassa), and highbush blueberries (Vaccinium corymbosum). Astragalin has also been detected, but not quantified in, several different foods, such as anises (Pimpinella anisum), piki bread, corn salads (Valerianella locusta), sorghums (Sorghum bicolor), and rice (Oryza sativa). This could make astragalin a potential biomarker for the consumption of these foods. Astragalin 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. kaempferol 3-glucoside is found in Abies homolepis, Acacia mangium , Acer glabrum, Acer mandshuricum, Acer negundo, Aceraceae negundo, Adhatoda vasica , Adiantum malesianum, Adiantum monochlamys, Adina racemosa, Aesculus chinensis, Tagetes erecta, Aglaia cucullata, Agrimonia pilosa, Ailanthus altissima, Alangium platanifolium, Allium hirtifolium, Allium neapolitanum, Allium triquetrum, Allium ursinum, Allium victorialis, Alsophila spinulosa, Alstonia scholaris, Alstroemeria pulchra, Althaea armeniaca, Althaea officinalis, Amborella trichopoda, Ammi majus, Amsonia ciliata, Anaphalis contorta, Anaphalis lactea, Anaphalis margaritacea, Anaxagorea luzonensis, Anchusa azurea, Pulsatilla cernua , Anemone tomentosa, Anisodus luridus, Anthemis cotula, Anthyllis onobrychioides, Sorbus aria, Aristolochia cucurbitifolia, Aristolochia heterophylla, Aristolochia kaempferi, Arnica acaulis, Arnica amplexicaulis, Arnica angustifolia, Arnica cordifolia, Arnica gracilis, Arnica longifolia, Arnica louiseana, Arnica montana, Artemisia alba, Artemisia annua, Artemisia armeniaca, Artemisia igniaria, Aruncus dioicus, Asanthus solidaginifolius, Asarum canadense, Asplenium filix-foemina, Asplenium viride, Asteriscus graveolens, Astilbe rubra, Astragalus angustifolius, Astragalus asper, Astragalus bornmuellerianus, Astragalus coluteocarpus, Astragalus lagurus, Astragalus robustus, Astragalus saganlugensis, Astragalus sevangensis, Astragalus sieberi, Astragalus wagneri, Azadirachta indica, Baccharis dracunculifolia, Barbacenia rubro-virens, Beaumontia grandiflora, Bellis perennis, Berchemia racemosa, Berlandiera pumila, Betula pendula, Betula pubescens, Bidens frondosa, Bidens pilosa, Brachyglottis cassinioides, Brickellia coulteri, Brickellia diffusa, Brickellia vernicosa, Bryum pseudotriquetrum, Buphthalmum salicifolium, Bursera graveolens, Calluna vulgaris, Calycanthus chinensis, Camellia crassicolumna, Camellia reticulata, Camellia sinensis (L.) O.KUNTZE , Campanula barbata, Campanula glomerata L., Campanula hypopolia, Camptotheca acuminata, Carthamus lanatus, Casimiroa tetrameria, Cassinia laevis, Casuarina equisetifolia L. , Casuarina junghaniana, Casuarina rigida, Centaurea horrida, Centaurea virgata, Centella asiatica, Chimarrhis turbinata, Chromolaena odorata, Chrozophora tinctoria, Chrysanthemum morifolium, Chuquiraga parviflora, Chuquiraga spinosa, Cicer flexuosum, Cicer songaricum, Cichorium glandulosum, Cinnamomum philippinense, Circaea lutetiana, Cistus ladanifer, Cistus laurifolius, Clematis terniflora, Clibadium surinamense, Clitoria ternatea, Consolida oliveriana, Coreopsis auriculata, Pseudofumaria lutea, Crassocephalum crepidioides, Cressa cretica, Crotalaria pallida, Cullen corylifolium, Curio rowleyanus, Cuscuta chinensis, Cuscuta micrantha, Cuscuta platyloba, Cyamopsis tetragonoloba, Cyclamen persicum, Cyclospermum leptophyllum, Dalbergia sissoo, Davallia divaricata, Desmanthodium spp., Detarium microcarpum, Dichrocephala integrifolia, Dicranopteris linearis, Dionaea muscipula, Diospyros cathayensis, Diplazium nipponicum, Doniophyton anomalum, Doronicum grandiflorum, Doronicum macrophyllum, Dracula cordobae, Drosera rotundifolia, Hymenoxys hoopesii, Elaeagnus bockii, Elaeagnus lanceolata, Equisetum sylvaticum, Erigeron annuus, Erigeron breviscapus, Eryngium campestre, Erythroxylum myrsinites, Erythroxylum subracemosum, Erythroxylum ulei, Eskemukerjea megacarpum HARA, Eucommia ulmoides, Eupatorium cannabinum, Euphorbia altotibetica, Euphorbia condylocarpon, Euphorbia hyssopifolia, Euphorbia lanata, Euphorbia maculata, Euphorbia petiolata, Euphorbia prostrata, Euscaphis japonica, Excoecaria cochinchinensis, Excoecaria cochinchinensis var.viridis , Fagonia paulayana, Fallopia dumetorum, Ficaria verna, Ficus pumila, Ficus virens, Filicium decipiens, Fraxinus angustifolia, Fraxinus raibocarpa, Fuchsia fulgens, Fuchsia nigricans, Gamocarpha alpina, Geranium robertianum, Geum aleppicum, Gladiolus italicus, Glycyrrhiza glabra , Glycyrrhiza macedonica, Glycyrrhiza pallidiflora, Glycyrrhiza uralensis, Gossypium hirsutum , Gymnocarpium dryopteris, Gynura divaricata, Gynura procumbens, Halocharis hispida, Hedera helix, Hedera hibernica, Hedyosmum bonplandianum, Helichrysum arenarium, Helichrysum armenium, Helichrysum italicum, Helichrysum stoechas, Heloniopsis orientalis, Diodella teres, Hibiscus cannabinus, Humulus lupulus, Hypericum aucheri, Hypericum erectum Thunb., Hypericum sikokumontanum, Hypericum triquetrifolium, Ia io, Ichnocarpus frutescens, Impatiens balsamina, Belamcanda chinensis , Iris pseudopumila, Isodon oresbius, Juniperus polycarpos, Kalanchoe pinnata, Kummerowia striata, Lactuca tatarica, Manoao colensoi, Lamium album, Larix sibirica, Laserpitium latifolium, Lathyrus davidii, Lathyrus japonicus, Lathyrus nissolia, Lathyrus pratensis, Leonurus cardiaca, Lepidium cartilagineum, Lespedeza bicolor , Lespedeza cuneata G. Don, Lespedeza tomentosa, Lespedeza virgata, Libocedrus bidwillii, Ligustrum obtusifolium, Ligustrum vulgare, Liriodendron chinense, Lonicera japonica, Lotus tenuis, Luetkea pectinata, Lygodium flexuosum, Lysimachia christinae , Lysimachia clethroides, Lysimachia davurica, Lysimachia nummularia , Magnolia salicifolia, Mandevilla martiana, Marah oregana, Marrubium anisodon, Marrubium cylleneum, Matricaria recutita , Mayaca fluviatilis, Meconopsis quintuplinervia, Medicago arborea, Melilotus sulcatus, Melochia corchorifolia , Pronephrium penangianum, Micranthes micranthidifolia, Mikania laevigata, Millettia zechiana, Monochaetun multiflorum, Moringa oleifera , Moringa peregrina , Moringa stenopetala , Morus alba L. , Mosla chinensis, Mukdenia rossii, Myrsine seguinii, Nardostachys jatamansi, Nasturtium officinale, Nigella sativa, Nyctanthes arbor-tristis, Nymphaea guineensis, Nymphaea nouchali, Ochradenus baccatus, Ocotea velloziana, Oenothera brachycarpa, Oenothera canescens, Oenothera glazioviana, Onobrychis bobrovii, Onobrychis iberica, Onobrychis kachetica, Ononis spinosa, Opuntia ficus-indica, Opuntia ficus-indica var.saboten , Orchis militaris, Orostachys japonica, Osbeckia chinensis, Ostericum maximowiczii, Oxytropis myriophylla, Paeonia lactiflora, Panax ginseng C.A.Meyer. , Papaver rhoeas, Parietaria officinalis, Parinari parvifolia, Parnassia grandifolia, Persicaria decipiens, Persicaria hydropiper, Persicaria lapathifolia, Persicaria tinctoria, Phellodendron amurense var.wilsonii , Philadelphus lewisii, Phlomis purpurea, Phlomoides spectabilis, Phyllanthus emblica, Phyllanthus tenellus, Phyllanthus virgatus, Physalis minima, Picea abies, Picea obovata, Pieris brassicae, Pilularia globulifera, Pinalia floribunda, Pinus banksiana, Pinus contorta, Pinus slyvestris, Pinus sylvestris , Platanus hispanica, Podophyllum hexandrum , Podophyllum peltatum , Polygonatum orientale, Polygonum aviculare, Polygonum cognatum, Persicaria nodosa, Polygonum salicifolium , Polygonum tenue, Polypodium virginianum, Potentilla anserina, Potentilla tanacetifolia, Premna flavescens, Primula veris , Prunus padus, Pseudocyclosorus esquirolii, Pteridium esculentum, Pteridium revolutum, Pyrola chlorantha, Pyrrosia lingua , Quercus dentata, Quercus laurifolia, Quercus pontica, Raoulia hookeri, Rhodiola rosea, Ribes viscosissimum, Ricinus communis, Rorippa indica, Rosa agrestis, Rosa damascena, Rosa gallica, Rosa rugosa, Rubus hirsutus, Rubus rigidus, Rubus ulmifolius, Rudbeckia fulgida, Salix caprea, Salvadora persica, Neoshirakia japonica, Sarcodes sanguinea, Sarracenia minor, Saussurea mongolica, Saxifraga stellaris, Scaphium affine, Scolymus hispanicus , Sempervivum ruthenicum, Senna alexandrina, Serenoa repens, Silphium perfoliatum, Sinapis arvensis, Sinoadina racemosa, Smyrnium perfoliatum, Solanum crinitum, Solanum dulcamara, Solanum incanum, Solanum pubescens, Solidago altissima, Sorbaria arborea, Sorbaria sorbifolia , Spermacoce remota, Sphagneticola calendulacea, Stachyurus himalaicus, Sphaerostephanos unitus, Sophora japonica , Symphyotrichum eatonii, Symphyotrichum subulatum, Syringa vulgaris, Tadehagi triquetrum, Tetrapanax papyriferus, Thelypteris palustris, Tilia tomentosa, Trachelospermum jasminoides, Triadica sebifera, Trifolium ambiguum, Trifolium pratense , Trifolium repens L. , Tulipa gesneriana, Tylosema esculentum, Ulmus pumila, Umbellularia californica, Uncaria rhynchophylla , Urtica dioica, Vahlia capensis, Veronica parviflora, Viburnum urceolatum, Vicia monantha, Vitex quinata, Vitis cinerea, Vitis vinifera, Warburgia ugandensis, Wikstroemia canescens, Wikstroemia indica, Wisteria floribunda, Xylocarpus granatum and Zea mays. kaempferol 3-glucoside was first documented in 2011 (PMID: 21329934). Based on a literature review a small amount of articles have been published on Astragalin (PMID: 22210036) (PMID: 22489129) (PMID: 22766709).
Structure
Thumb
MOL3D MOLSDF3D SDFPDBSMILESInChI

MOL for NP0030630 (kaempferol 3-glucoside)


  Mrv1652306192123563D          

 52 55  0  0  0  0            999 V2000
    1.6243    0.7044   -4.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    0.6899   -3.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267    1.2639   -2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    1.8657   -1.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.9023   -1.3843 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3111    0.9823    0.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.0998    0.7322 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8915    0.2052    2.2270 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5187   -0.1280    2.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    0.4823    0.4348 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5732   -0.4066    1.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    0.4317   -1.0749 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2262    0.8937   -1.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    1.2762   -1.8329 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0968    1.0533   -3.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    1.2175   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0068    1.7632   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954    0.9556    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    1.4541    1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687    2.7624    2.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075    3.2066    3.2934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    3.5849    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    3.0852   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.6208   -2.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    0.0893   -3.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9893   -0.4732   -4.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651   -1.0293   -5.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794   -1.5894   -6.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -1.0322   -6.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369   -0.4704   -5.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -0.5051   -6.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485    0.0923   -4.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -0.1182   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -0.9297    0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423    1.2257    2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -0.4787    2.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    0.4819    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.4938    0.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483   -0.2061    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.6082   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585    0.9902   -2.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    2.3422   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599    1.2385   -3.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -0.0725    0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2704    0.8216    2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901    4.1212    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160    4.6096    1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2182    3.7391   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8978   -0.4691   -3.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8199   -1.5186   -5.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7929   -1.4702   -7.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214   -0.0803   -6.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 18 19  2  0  0  0  0
 26 27  2  0  0  0  0
 19 20  1  0  0  0  0
 25 24  1  0  0  0  0
 20 22  2  0  0  0  0
 32  2  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  2  0  0  0  0
  2  3  1  0  0  0  0
  3 16  2  0  0  0  0
 16 24  1  0  0  0  0
 25 32  2  0  0  0  0
 16 17  1  0  0  0  0
  2  1  2  0  0  0  0
 29 30  2  0  0  0  0
 27 28  1  0  0  0  0
 30 32  1  0  0  0  0
  5 14  1  0  0  0  0
 14 12  1  0  0  0  0
 12 10  1  0  0  0  0
 10  7  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 30 31  1  0  0  0  0
  9  8  1  0  0  0  0
  3  4  1  0  0  0  0
 27 29  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
  7  8  1  0  0  0  0
  5  4  1  0  0  0  0
 29 51  1  0  0  0  0
 26 49  1  0  0  0  0
 28 50  1  0  0  0  0
 31 52  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
  5 33  1  6  0  0  0
 10 38  1  1  0  0  0
 11 39  1  0  0  0  0
 12 40  1  6  0  0  0
 13 41  1  0  0  0  0
 14 42  1  6  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  7 34  1  6  0  0  0
  9 37  1  0  0  0  0
 15 43  1  0  0  0  0
 21 46  1  0  0  0  0
M  END
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3D MOL for NP0030630 (kaempferol 3-glucoside)

     RDKit          3D

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.6243    0.7044   -4.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    0.6899   -3.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267    1.2639   -2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    1.8657   -1.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.9023   -1.3843 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3111    0.9823    0.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.0998    0.7322 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8915    0.2052    2.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5187   -0.1280    2.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    0.4823    0.4348 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5732   -0.4066    1.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    0.4317   -1.0749 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2262    0.8937   -1.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    1.2762   -1.8329 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0968    1.0533   -3.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    1.2175   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0068    1.7632   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954    0.9556    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    1.4541    1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687    2.7624    2.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075    3.2066    3.2934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    3.5849    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    3.0852   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.6208   -2.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    0.0893   -3.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9893   -0.4732   -4.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651   -1.0293   -5.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794   -1.5894   -6.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -1.0322   -6.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369   -0.4704   -5.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -0.5051   -6.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485    0.0923   -4.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -0.1182   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -0.9297    0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423    1.2257    2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -0.4787    2.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    0.4819    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.4938    0.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483   -0.2061    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.6082   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585    0.9902   -2.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    2.3422   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599    1.2385   -3.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -0.0725    0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2704    0.8216    2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901    4.1212    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160    4.6096    1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2182    3.7391   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8978   -0.4691   -3.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8199   -1.5186   -5.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7929   -1.4702   -7.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214   -0.0803   -6.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0
 18 19  2  0
 26 27  2  0
 19 20  1  0
 25 24  1  0
 20 22  2  0
 32  2  1  0
 22 23  1  0
 23 17  2  0
  2  3  1  0
  3 16  2  0
 16 24  1  0
 25 32  2  0
 16 17  1  0
  2  1  2  0
 29 30  2  0
 27 28  1  0
 30 32  1  0
  5 14  1  0
 14 12  1  0
 12 10  1  0
 10  7  1  0
  7  6  1  0
  6  5  1  0
 10 11  1  0
 12 13  1  0
 30 31  1  0
  9  8  1  0
  3  4  1  0
 27 29  1  0
 14 15  1  0
 17 18  1  0
 20 21  1  0
  7  8  1  0
  5  4  1  0
 29 51  1  0
 26 49  1  0
 28 50  1  0
 31 52  1  0
 18 44  1  0
 19 45  1  0
 22 47  1  0
 23 48  1  0
  5 33  1  6
 10 38  1  1
 11 39  1  0
 12 40  1  6
 13 41  1  0
 14 42  1  6
  8 35  1  0
  8 36  1  0
  7 34  1  6
  9 37  1  0
 15 43  1  0
 21 46  1  0
M  END
Download

3D SDF for NP0030630 (kaempferol 3-glucoside)


  Mrv1652306192123563D          

 52 55  0  0  0  0            999 V2000
    1.6243    0.7044   -4.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    0.6899   -3.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267    1.2639   -2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    1.8657   -1.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.9023   -1.3843 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3111    0.9823    0.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.0998    0.7322 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8915    0.2052    2.2270 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5187   -0.1280    2.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    0.4823    0.4348 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5732   -0.4066    1.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    0.4317   -1.0749 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2262    0.8937   -1.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    1.2762   -1.8329 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0968    1.0533   -3.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    1.2175   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0068    1.7632   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954    0.9556    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    1.4541    1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687    2.7624    2.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075    3.2066    3.2934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    3.5849    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    3.0852   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.6208   -2.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    0.0893   -3.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9893   -0.4732   -4.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651   -1.0293   -5.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794   -1.5894   -6.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -1.0322   -6.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369   -0.4704   -5.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -0.5051   -6.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485    0.0923   -4.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -0.1182   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -0.9297    0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423    1.2257    2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -0.4787    2.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    0.4819    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.4938    0.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483   -0.2061    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.6082   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585    0.9902   -2.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    2.3422   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599    1.2385   -3.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -0.0725    0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2704    0.8216    2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901    4.1212    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160    4.6096    1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2182    3.7391   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8978   -0.4691   -3.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8199   -1.5186   -5.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7929   -1.4702   -7.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214   -0.0803   -6.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 18 19  2  0  0  0  0
 26 27  2  0  0  0  0
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 32  2  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  2  0  0  0  0
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 25 32  2  0  0  0  0
 16 17  1  0  0  0  0
  2  1  2  0  0  0  0
 29 30  2  0  0  0  0
 27 28  1  0  0  0  0
 30 32  1  0  0  0  0
  5 14  1  0  0  0  0
 14 12  1  0  0  0  0
 12 10  1  0  0  0  0
 10  7  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 30 31  1  0  0  0  0
  9  8  1  0  0  0  0
  3  4  1  0  0  0  0
 27 29  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
  7  8  1  0  0  0  0
  5  4  1  0  0  0  0
 29 51  1  0  0  0  0
 26 49  1  0  0  0  0
 28 50  1  0  0  0  0
 31 52  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
  5 33  1  6  0  0  0
 10 38  1  1  0  0  0
 11 39  1  0  0  0  0
 12 40  1  6  0  0  0
 13 41  1  0  0  0  0
 14 42  1  6  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  7 34  1  6  0  0  0
  9 37  1  0  0  0  0
 15 43  1  0  0  0  0
 21 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0030630

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O1)C([H])=C(O[H])C([H])=C2O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1

> <INCHI_KEY>
JPUKWEQWGBDDQB-QSOFNFLRSA-N

> <FORMULA>
C21H20O11

> <MOLECULAR_WEIGHT>
448.3769

> <EXACT_MASS>
448.100561482

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
42.390885682724715

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

> <ALOGPS_LOGP>
0.52

> <JCHEM_LOGP>
0.15873002566666658

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.869704355311086

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.3723484229657545

> <JCHEM_PKA_STRONGEST_BASIC>
-2.98109237118166

> <JCHEM_POLAR_SURFACE_AREA>
186.37

> <JCHEM_REFRACTIVITY>
107.29459999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.58e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
astragalin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0030630 (kaempferol 3-glucoside)

     RDKit          3D

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.6243    0.7044   -4.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    0.6899   -3.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267    1.2639   -2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    1.8657   -1.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.9023   -1.3843 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3111    0.9823    0.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.0998    0.7322 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8915    0.2052    2.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5187   -0.1280    2.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    0.4823    0.4348 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5732   -0.4066    1.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    0.4317   -1.0749 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2262    0.8937   -1.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    1.2762   -1.8329 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0968    1.0533   -3.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    1.2175   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0068    1.7632   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954    0.9556    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    1.4541    1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687    2.7624    2.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075    3.2066    3.2934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    3.5849    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    3.0852   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.6208   -2.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    0.0893   -3.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9893   -0.4732   -4.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651   -1.0293   -5.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794   -1.5894   -6.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -1.0322   -6.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369   -0.4704   -5.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -0.5051   -6.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485    0.0923   -4.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -0.1182   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -0.9297    0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423    1.2257    2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -0.4787    2.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    0.4819    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.4938    0.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483   -0.2061    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.6082   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585    0.9902   -2.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    2.3422   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599    1.2385   -3.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -0.0725    0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2704    0.8216    2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901    4.1212    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160    4.6096    1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2182    3.7391   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8978   -0.4691   -3.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8199   -1.5186   -5.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7929   -1.4702   -7.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214   -0.0803   -6.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 38  1  1
 11 39  1  0
 12 40  1  6
 13 41  1  0
 14 42  1  6
  8 35  1  0
  8 36  1  0
  7 34  1  6
  9 37  1  0
 15 43  1  0
 21 46  1  0
M  END
Download

PDB for NP0030630 (kaempferol 3-glucoside)

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  O   UNK     0       1.624   0.704  -4.467  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.553   0.690  -3.865  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.427   1.264  -2.503  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.545   1.866  -1.962  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.442   0.902  -1.384  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.311   0.982   0.037  0.00  0.00           O+0
HETATM    7  C   UNK     0       3.208   0.100   0.732  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.892   0.205   2.227  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.519  -0.128   2.448  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.660   0.482   0.435  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.573  -0.407   1.079  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.895   0.432  -1.075  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.226   0.894  -1.357  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.871   1.276  -1.833  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.097   1.053  -3.235  0.00  0.00           O+0
HETATM   16  C   UNK     0      -0.775   1.218  -1.897  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.007   1.763  -0.546  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.595   0.956   0.439  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.823   1.454   1.724  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.469   2.762   2.028  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.708   3.207   3.293  0.00  0.00           O+0
HETATM   22  C   UNK     0      -0.893   3.585   1.067  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.666   3.085  -0.219  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.902   0.621  -2.443  0.00  0.00           O+0
HETATM   25  C   UNK     0      -1.822   0.089  -3.705  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.989  -0.473  -4.226  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.965  -1.029  -5.502  0.00  0.00           C+0
HETATM   28  O   UNK     0      -4.079  -1.589  -6.052  0.00  0.00           O+0
HETATM   29  C   UNK     0      -1.798  -1.032  -6.260  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.637  -0.470  -5.736  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.478  -0.505  -6.528  0.00  0.00           O+0
HETATM   32  C   UNK     0      -0.649   0.092  -4.456  0.00  0.00           C+0
HETATM   33  H   UNK     0       2.203  -0.118  -1.717  0.00  0.00           H+0
HETATM   34  H   UNK     0       2.996  -0.930   0.414  0.00  0.00           H+0
HETATM   35  H   UNK     0       3.042   1.226   2.594  0.00  0.00           H+0
HETATM   36  H   UNK     0       3.507  -0.479   2.819  0.00  0.00           H+0
HETATM   37  H   UNK     0       1.005   0.482   1.883  0.00  0.00           H+0
HETATM   38  H   UNK     0       4.875   1.494   0.802  0.00  0.00           H+0
HETATM   39  H   UNK     0       6.448  -0.206   0.688  0.00  0.00           H+0
HETATM   40  H   UNK     0       4.867  -0.608  -1.425  0.00  0.00           H+0
HETATM   41  H   UNK     0       6.258   0.990  -2.332  0.00  0.00           H+0
HETATM   42  H   UNK     0       4.058   2.342  -1.656  0.00  0.00           H+0
HETATM   43  H   UNK     0       3.260   1.238  -3.716  0.00  0.00           H+0
HETATM   44  H   UNK     0      -1.875  -0.073   0.219  0.00  0.00           H+0
HETATM   45  H   UNK     0      -2.270   0.822   2.486  0.00  0.00           H+0
HETATM   46  H   UNK     0      -1.390   4.121   3.370  0.00  0.00           H+0
HETATM   47  H   UNK     0      -0.616   4.610   1.294  0.00  0.00           H+0
HETATM   48  H   UNK     0      -0.218   3.739  -0.965  0.00  0.00           H+0
HETATM   49  H   UNK     0      -3.898  -0.469  -3.631  0.00  0.00           H+0
HETATM   50  H   UNK     0      -4.820  -1.519  -5.427  0.00  0.00           H+0
HETATM   51  H   UNK     0      -1.793  -1.470  -7.255  0.00  0.00           H+0
HETATM   52  H   UNK     0       1.221  -0.080  -6.047  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2   32    3    1                                                  
CONECT    3    2   16    4                                                  
CONECT    4    3    5                                                       
CONECT    5   14    6    4   33                                             
CONECT    6    7    5                                                       
CONECT    7   10    6    8   34                                             
CONECT    8    9    7   35   36                                             
CONECT    9    8   37                                                       
CONECT   10   12    7   11   38                                             
CONECT   11   10   39                                                       
CONECT   12   14   10   13   40                                             
CONECT   13   12   41                                                       
CONECT   14    5   12   15   42                                             
CONECT   15   14   43                                                       
CONECT   16    3   24   17                                                  
CONECT   17   23   16   18                                                  
CONECT   18   19   17   44                                                  
CONECT   19   18   20   45                                                  
CONECT   20   19   22   21                                                  
CONECT   21   20   46                                                       
CONECT   22   20   23   47                                                  
CONECT   23   22   17   48                                                  
CONECT   24   25   16                                                       
CONECT   25   26   24   32                                                  
CONECT   26   25   27   49                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27   50                                                       
CONECT   29   30   27   51                                                  
CONECT   30   29   32   31                                                  
CONECT   31   30   52                                                       
CONECT   32    2   25   30                                                  
CONECT   33    5                                                            
CONECT   34    7                                                            
CONECT   35    8                                                            
CONECT   36    8                                                            
CONECT   37    9                                                            
CONECT   38   10                                                            
CONECT   39   11                                                            
CONECT   40   12                                                            
CONECT   41   13                                                            
CONECT   42   14                                                            
CONECT   43   15                                                            
CONECT   44   18                                                            
CONECT   45   19                                                            
CONECT   46   21                                                            
CONECT   47   22                                                            
CONECT   48   23                                                            
CONECT   49   26                                                            
CONECT   50   28                                                            
CONECT   51   29                                                            
CONECT   52   31                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  110    0
END
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3D PDB for NP0030630 (kaempferol 3-glucoside)

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SMILES for NP0030630 (kaempferol 3-glucoside)
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O1)C([H])=C(O[H])C([H])=C2O[H]
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INCHI for NP0030630 (kaempferol 3-glucoside)
InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
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View in JSmolView DFT Assignments3D Conformers
Synonyms
ValueSource
3,4',5,7-Tetrahydroxyflavone-3-glucosideChEBI
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranosideChEBI
AstragalineChEBI
Kaempferol 3-O-glucosideChEBI
Kaempferol-3-O-beta-glucopyranosideChEBI
Kaempferol 3-O-beta-D-glucosideKegg
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl b-D-glucopyranosideGenerator
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranosideGenerator
Kaempferol-3-O-b-glucopyranosideGenerator
Kaempferol-3-O-β-glucopyranosideGenerator
Kaempferol 3-O-b-D-glucosideGenerator
Kaempferol 3-O-β-D-glucosideGenerator
3,4',5,7-TetrahydroxyflavoneHMDB
3-O-b-D-GlucopyranosideHMDB
3-O-b-D-Glucopyranosyloxy-4',5,7-trihydroxyflavoneHMDB
AsragalinHMDB
Kaempferol 3-glucosideHMDB
Kaempferol 3-O-beta-D-glucopyranosideHMDB
Kaempferol-3-beta-glucopyranosideHMDB
Kaempferol-3-beta-monoglucosideHMDB
Kaempferol-3-D-glucosideHMDB
Kaempferol-3-glucosideHMDB
Kaempferol-3-O-glucosideHMDB
AstragalinChEBI
3-GlucosylkaempferolPhytoBank
4',5,7-Trihydroxyflavone 3-beta-D-glucopyranosidePhytoBank
4',5,7-Trihydroxyflavone 3-β-D-glucopyranosidePhytoBank
4’,5,7-Trihydroxyflavone 3-β-D-glucopyranosidePhytoBank
Kaemferol 3-O-glucopyranosidePhytoBank
Kaempferol 3-O-glucopyranosidePhytoBank
Kaempferol 3-O-β-D-glucopyranosidePhytoBank
Kaempferol 3-O-beta-glucosidePhytoBank
Kaempferol 3-O-β-glucosidePhytoBank
Kaempferol 3-beta-D-glucopyranosidePhytoBank
Kaempferol 3-β-D-glucopyranosidePhytoBank
Kaempferol 3-beta-D-glucosidePhytoBank
Kaempferol 3-β-D-glucosidePhytoBank
Kaempherol 3-O-beta-D-glucopyranosidePhytoBank
Kaempherol 3-O-β-D-glucopyranosidePhytoBank
Chemical FormulaC21H20O11
Average Mass448.3769 Da
Monoisotopic Mass448.10056 Da
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Traditional Nameastragalin
CAS Registry NumberNot Available
SMILES
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O1)C([H])=C(O[H])C([H])=C2O[H]
InChI Identifier
InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
InChI KeyJPUKWEQWGBDDQB-QSOFNFLRSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 400 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 100 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 200 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 300 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 600 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 700 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 800 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 900 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 1000 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 50 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 150 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 250 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 175 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 100 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 225 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 200 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 125 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 25 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, dmso, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Abelmoschus esculentusFooDB
Abies amabilisKNApSAcK Database
Abies homolepisLOTUS Database
Acacia mangiumPlant
Acer glabrumLOTUS Database
Acer mandshuricumLOTUS Database
Acer negundoLOTUS Database
Aceraceae negundo-
Actinidia chinensisFooDB
Adhatoda vasicaPlant
Adiantum malesianumPlant
Adiantum monochlamysPlant
Adina racemosaPlant
Aesculus chinensisLOTUS Database
African marigoldLOTUS Database
Agaricus bisporusFooDB
AgaveFooDB
Aglaia cucullataLOTUS Database
Agrimonia eupatoriaKNApSAcK Database
Agrimonia pilosaLOTUS Database
Ailanthus altissimaLOTUS Database
Alangium platanifoliumLOTUS Database
Alkanna orientalisKNApSAcK Database
Allium ampeloprasumFooDB
Allium ascalonicumFooDB
Allium cepaFooDB
Allium cepa L.FooDB
Allium fistulosumFooDB
Allium hirtifoliumLOTUS Database
Allium neapolitanumLOTUS Database
Allium porrum L.KNApSAcK Database
Allium sativumFooDB
Allium schoenoprasumFooDB
Allium triquetrumLOTUS Database
Allium tuberosumFooDB
Allium ursinumLOTUS Database
Allium victorialisLOTUS Database
Aloysia triphyllaFooDB
Alsophila spinulosaLOTUS Database
Alstonia Alstonia scholarisLOTUS Database
Alstroemeria pulchraLOTUS Database
Althaea armeniacaLOTUS Database
Althaea officinalisLOTUS Database
AmaranthusFooDB
Amborella trichopodaLOTUS Database
Amelanchier alnifoliaFooDB
Ammi majusLOTUS Database
Ammi majus L.KNApSAcK Database
Amsonia ciliataPlant
Anacardium occidentaleFooDB
Ananas comosusFooDB
Anaphalis contortaLOTUS Database
Anaphalis lacteaLOTUS Database
Anaphalis margaritaceaLOTUS Database
Anaxagorea luzonensisLOTUS Database
Anchusa azureaLOTUS Database
Anemone cernuaPlant
Anemone tomentosaLOTUS Database
Anethum graveolensFooDB
Angelica furcijuga KITAGAWAKNApSAcK Database
Angelica keiskeiFooDB
Anisodus luridusLOTUS Database
Annona cherimolaFooDB
Annona crassifloraKNApSAcK Database
Annona muricataFooDB
Annona reticulataFooDB
Annona squamosaFooDB
Anthemis cotulaLOTUS Database
Anthriscus cerefoliumFooDB
Anthyllis onobrychioidesPlant
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
Apium graveolens var. rapaceumFooDB
Apium graveolens var. secalinumFooDB
Arachis hypogaeaFooDB
Arctium lappaFooDB
Aria edulisLOTUS Database
Aristolochia cucurbitifoliaLOTUS Database
Aristolochia heterophyllaLOTUS Database
Aristolochia kaempferiLOTUS Database
Armoracia rusticanaFooDB
Arnica acaulisLOTUS Database
Arnica amplexicaulisLOTUS Database
Arnica angustifoliaLOTUS Database
Arnica cordifoliaLOTUS Database
Arnica gracilisLOTUS Database
Arnica longifoliaLOTUS Database
Arnica louiseanaLOTUS Database
Arnica montanaLOTUS Database
Arnica montana cv.ARBOKNApSAcK Database
Artemisia albaLOTUS Database
Artemisia annuaLOTUS Database
Artemisia armeniacaLOTUS Database
Artemisia dracunculusFooDB
Artemisia igniariaLOTUS Database
Artemisia vulgarisFooDB
Artocarpus altilisFooDB
Artocarpus heterophyllusFooDB
Aruncus dioicusLOTUS Database
Asanthus solidaginifoliusLOTUS Database
Asarum canadenseLOTUS Database
Ascarina lucidaKNApSAcK Database
Asparagus officinalisFooDB
Asplenium filix-foeminaPlant
Asplenium virideLOTUS Database
Asteriscus graveolensLOTUS Database
Astilbe rubraLOTUS Database
Astragalus angustifoliusLOTUS Database
Astragalus asperLOTUS Database
Astragalus bornmuellerianusLOTUS Database
Astragalus coluteocarpusLOTUS Database
Astragalus dipeltaKNApSAcK Database
Astragalus lagurusLOTUS Database
Astragalus robustusLOTUS Database
Astragalus saganlugensisLOTUS Database
Astragalus sevangensisLOTUS Database
Astragalus sieberiLOTUS Database
Astragalus sp.KNApSAcK Database
Astragalus spp.KNApSAcK Database
Astragalus wagneriLOTUS Database
Attalea speciosaFooDB
Auricularia auricula-judaeFooDB
Auricularia polytrichaFooDB
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Azadirachta indicaLOTUS Database
Baccharis dracunculifoliaLOTUS Database
Baptisia spp.KNApSAcK Database
Barbacenia rubro-virensPlant
Basella albaFooDB
Bauhinia variegata L.KNApSAcK Database
Beaumontia grandifloraLOTUS Database
Belamcanda chinensisKNApSAcK Database
Bellis perennisLOTUS Database
Benincasa hispidaFooDB
Berchemia racemosaLOTUS Database
Berlandiera pumilaLOTUS Database
Bertholletia excelsaFooDB
Beta vulgarisFooDB
Beta vulgaris ssp. ciclaFooDB
Betula pendulaLOTUS Database
Betula pubescensLOTUS Database
Bidens frondosaLOTUS Database
Bidens pilosaLOTUS Database
Bocagea sp.nov.KNApSAcK Database
Boehmeria holosericeaKNApSAcK Database
Boehmeria tricuspisKNApSAcK Database
Borago officinalisFooDB
Brachyglottis cassinioidesLOTUS Database
Brassica alboglabraFooDB
Brassica junceaFooDB
Brassica napusFooDB
Brassica napus var. napusFooDB
Brassica oleraceaFooDB
Brassica oleracea var. botrytisFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. gemmiferaFooDB
Brassica oleracea var. gongylodesFooDB
Brassica oleracea var. italicaFooDB
Brassica oleracea var. sabaudaFooDB
Brassica oleracea var. viridisFooDB
Brassica rapaFooDB
Brassica rapa ssp. chinensisFooDB
Brassica rapa var. pekinensisFooDB
Brassica rapa var. rapaFooDB
Brassica ruvoFooDB
Brickellia coulteriLOTUS Database
Brickellia diffusaLOTUS Database
Brickellia vernicosaLOTUS Database
Brosimum alicastrumFooDB
Bryum pseudotriquetrumLOTUS Database
Buphthalmum salicifoliumLOTUS Database
Bursera graveolensLOTUS Database
Byrsonima crassifoliaFooDB
Cajanus cajanFooDB
Calluna vulgarisLOTUS Database
Calycanthus chinensisLOTUS Database
Camellia crassicolumnaLOTUS Database
Camellia reticulataLOTUS Database
Camellia sinensisKNApSAcK Database
Camellia sinensis (L.) O.KUNTZEPlant
Campanula barbataLOTUS Database
Campanula glomerata L.Plant
Campanula hypopoliaLOTUS Database
Camptotheca acuminataPlant
Canarium ovatumFooDB
Cannabis sativaCannabisDB
      Not Available
Cantharellus cibariusFooDB
Capparis spinosaFooDB
Capsicum annuumFooDB
Capsicum annuum L.FooDB
Capsicum annuum var. annuumFooDB
Capsicum chinenseFooDB
Capsicum pubescensFooDB
Cardiopetalum calophyllumKNApSAcK Database
Carica papaya L.FooDB
Carissa macrocarpaFooDB
Carthamus lanatusLOTUS Database
Carthamus tinctoriusKNApSAcK Database
Carum carviKNApSAcK Database
CaryaFooDB
Carya illinoinensisFooDB
Casimiroa tetrameriaLOTUS Database
Cassinia laevisLOTUS Database
CastaneaFooDB
Castanea crenataFooDB
Castanea mollissimaFooDB
Castanea sativaFooDB
Casuarina equisetifolia L.Plant
Casuarina junghanianaPlant
Casuarina rigidaPlant
Centaurea horridaLOTUS Database
Centaurea virgataLOTUS Database
Centella asiaticaLOTUS Database
Ceratonia siliquaFooDB
Chamaemelum nobileFooDB
Chamerion angustifoliumFooDB
Chenopodium albumFooDB
Chenopodium quinoaFooDB
Chimarrhis turbinataLOTUS Database
Chromolaena odorataLOTUS Database
Chrozophora tinctoriaLOTUS Database
Chrysanthemum coronariumFooDB
Chrysanthemum morifoliumLOTUS Database
Chuquiraga parvifloraLOTUS Database
Chuquiraga spinosaLOTUS Database
Cicer arietinumFooDB
Cicer flexuosumLOTUS Database
Cicer songaricumLOTUS Database
Cichorium endiviaFooDB
Cichorium glandulosumLOTUS Database
Cichorium intybusFooDB
CinnamomumFooDB
Cinnamomum aromaticumFooDB
Cinnamomum philippinenseLOTUS Database
Cinnamomum verumFooDB
Circaea lutetianaLOTUS Database
CirsiumFooDB
Cistus ladaniferLOTUS Database
Cistus laurifoliusLOTUS Database
Citrullus lanatusFooDB
Citrus ×limon (L.) Burm. f. (pro sp.)FooDB
Citrus aurantiifoliaFooDB
Citrus latifoliaFooDB
Citrus limonFooDB
Citrus maximaFooDB
Citrus paradisiFooDB
Citrus reticulataFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Clematis ternifloraLOTUS Database
Clibadium spp.KNApSAcK Database
Clibadium surinamenseLOTUS Database
Clitoria ternataKNApSAcK Database
Clitoria ternateaJEOL database
    • Kazuma, K., et al, Phytochemistry 62, 229 (2003)
Cocos nuciferaFooDB
Coffea arabica L.FooDB
Coffea canephoraFooDB
Colocasia esculentaFooDB
Consolida oliverianaPlant
Conyza filaginoidesKNApSAcK Database
Corchorus olitoriusFooDB
Coreopsis auriculataLOTUS Database
Coriandrum sativum L.FooDB
Cornus kousaKNApSAcK Database
Corydalis luteaLOTUS Database
CorylusFooDB
Corylus avellanaFooDB
Crassocephalum crepidioidesLOTUS Database
Crateva religiosaFooDB
Cressa creticaLOTUS Database
Crocus antalyensisKNApSAcK Database
Crocus sativusKNApSAcK Database
Crotalaria pallidaLOTUS Database
Cucumis meloFooDB
Cucumis metuliferusFooDB
Cucumis sativus L.FooDB
CucurbitaFooDB
Cucurbita maximaFooDB
Cucurbita moschataFooDB
Cullen corylifoliumLOTUS Database
Cuminum cyminumFooDB
Curcuma longaFooDB
Curcuma manggaKNApSAcK Database
Curio rowleyanusLOTUS Database
Cuscuta chinensisLOTUS Database
Cuscuta micranthaLOTUS Database
Cuscuta platylobaLOTUS Database
Cyamopsis tetragonolobaLOTUS Database
Cyclamen persicumLOTUS Database
Cyclospermum leptophyllumLOTUS Database
Cydonia oblongaFooDB
Cymbopogon citratusFooDB
Cynara cardunculusFooDB
Cynara scolymusFooDB
Dalbergia sissooLOTUS Database
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Davallia divaricataLOTUS Database
Desmanthodium spp.Plant
Detarium microcarpumLOTUS Database
Dichrocephala integrifoliaLOTUS Database
Dicranopteris linearisLOTUS Database
Dimocarpus longanFooDB
Dionaea muscipulaLOTUS Database
DioscoreaFooDB
Dioscorea pentaphyllaFooDB
DiospyrosFooDB
Diospyros cathayensisLOTUS Database
Diospyros kakiKNApSAcK Database
Diospyros virginianaFooDB
Diplazium nipponicumLOTUS Database
Doniophyton anomalumLOTUS Database
Doronicum grandiflorumLOTUS Database
Doronicum macrophyllumLOTUS Database
Dracula cordobaeLOTUS Database
Drosera rotundifoliaLOTUS Database
Dugaldia hoopesiiLOTUS Database
Duguetia chrysocarpaKNApSAcK Database
Durio zibethinusFooDB
Dysphania ambrosioidesFooDB
Edgeworthia chrysanthaKNApSAcK Database
Elaeagnus bockiiLOTUS Database
Elaeagnus lanceolataLOTUS Database
ElaeisFooDB
Eleocharis dulcisFooDB
Elettaria cardamomumFooDB
Empetrum nigrumFooDB
Equisetum sylvaticumLOTUS Database
Eragrostis tefFooDB
Erigeron annuusLOTUS Database
Erigeron breviscapusLOTUS Database
Eriobotrya japonicaFooDB
Eruca vesicaria subsp. SativaFooDB
Eryngium campestreLOTUS Database
Erythroxylum myrsinitesLOTUS Database
Erythroxylum subracemosumLOTUS Database
Erythroxylum uleiLOTUS Database
Eskemukerjea megacarpum HARAPlant
Eucommia ulmoidesLOTUS Database
Eugenia javanicaFooDB
Eugenia unifloraFooDB
Eupatorium cannabinumLOTUS Database
Euphorbia altotibeticaLOTUS Database
Euphorbia chamaesyceKNApSAcK Database
Euphorbia condylocarponPlant
Euphorbia hyssopifoliaLOTUS Database
Euphorbia lanataPlant
Euphorbia laricaKNApSAcK Database
Euphorbia maculataLOTUS Database
Euphorbia magalantaKNApSAcK Database
Euphorbia petiolataLOTUS Database
Euphorbia prostrataLOTUS Database
Euphorbia virgataKNApSAcK Database
Euscaphis japonicaLOTUS Database
Eutrema japonicumFooDB
Evolvulus alsinoidesKNApSAcK Database
Excoecaria cochinchinensisLOTUS Database
Excoecaria cochinchinensis var.viridisPlant
Fagonia paulayanaLOTUS Database
Fagopyrum esculentumFooDB
Fagopyrum tataricumFooDB
FagusFooDB
Fallopia dumetorumLOTUS Database
Feijoa sellowianaFooDB
Ficaria vernaLOTUS Database
Ficus caricaFooDB
Ficus pumilaLOTUS Database
Ficus virensLOTUS Database
Filicium decipiensLOTUS Database
Flammulina velutipesFooDB
Foeniculum vulgareFooDB
Fragaria x ananassaFooDB
Fraxinus angustifoliaLOTUS Database
Fraxinus oxycarbaKNApSAcK Database
Fraxinus raibocarpaLOTUS Database
Fuchsia fulgensLOTUS Database
Fuchsia nigricansLOTUS Database
Gamocarpha alpinaLOTUS Database
Garcinia mangostanaFooDB
Gaylussacia baccataFooDB
Geranium robertianumLOTUS Database
Gerbera jamesoniiKNApSAcK Database
Geum aleppicumLOTUS Database
Ginkgo bilobaFooDB
Gladiolus italicusLOTUS Database
Glycine maxFooDB
Glycyrrhiza glabraPlant
Glycyrrhiza macedonicaLOTUS Database
Glycyrrhiza pallidifloraLOTUS Database
Glycyrrhiza uralensisLOTUS Database
GossypiumFooDB
Gossypium barbadenseKNApSAcK Database
Gossypium hirsutumPlant
Grifola frondosaFooDB
Guatteria rupestrisKNApSAcK Database
Guatteria villosissimaKNApSAcK Database
Gutierrezia wrightiiKNApSAcK Database
Gymnocarpium dryopterisLOTUS Database
Gynura divaricataLOTUS Database
Gynura procumbensLOTUS Database
Halocharis hispidaLOTUS Database
Haplopappus foliosusKNApSAcK Database
Haplophyllum glabrinumKNApSAcK Database
Hebe parvifloraKNApSAcK Database
Hedera helixLOTUS Database
Hedera hibernicaLOTUS Database
Hedyosmum bonplandianumLOTUS Database
Hedysarum alpinumFooDB
Helianthus annuus L.FooDB
Helianthus tuberosusFooDB
Helichrysum arenariumLOTUS Database
Helichrysum armeniumLOTUS Database
Helichrysum graveolenKNApSAcK Database
Helichrysum italicumLOTUS Database
Helichrysum stoechasLOTUS Database
Helicteres angustifoliaKNApSAcK Database
Helonias orientalisLOTUS Database
Hexasepalum teresLOTUS Database
Hibiscus cannabinusLOTUS Database
Hibiscus sabbariffaFooDB
Hippophae rhamnoidesFooDB
Hirschfeldia incanaKNApSAcK Database
Hordeum vulgareFooDB
Humulus lupulusLOTUS Database
Hypericum aucheriLOTUS Database
Hypericum erectumPlant
Hypericum erectum Thunb.KNApSAcK Database
Hypericum sampsoniiKNApSAcK Database
Hypericum sikokumontanumLOTUS Database
Hypericum triquetrifoliumLOTUS Database
Hyssopus officinalis L.FooDB
Ia ioLOTUS Database
Ichnocarpus frutescensLOTUS Database
Illicium verumFooDB
Impatiens balsaminaLOTUS Database
Ipomoea aquaticaFooDB
Ipomoea batatasFooDB
Iris domesticaPlant
Iris pseudopumilaLOTUS Database
Isodon oresbiusLOTUS Database
JuglansFooDB
Juglans ailanthifoliaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Juglans regiaFooDB
Juniperus macropodaKNApSAcK Database
Juniperus polycarposLOTUS Database
Kalanchoe pinnataLOTUS Database
Kummerowia striataLOTUS Database
Lablab purpureusFooDB
Lactuca sativaFooDB
Lactuca tataricaLOTUS Database
Lagarostrobos colensoiLOTUS Database
Lagenaria sicerariaFooDB
Lamium albumLOTUS Database
Larix deciduaKNApSAcK Database
Larix sibiricaLOTUS Database
Laserpitium latifoliumLOTUS Database
Lathyrus davidiiLOTUS Database
Lathyrus japonicusLOTUS Database
Lathyrus nissoliaLOTUS Database
Lathyrus pratensisLOTUS Database
Lathyrus sativusFooDB
Laurus nobilis L.FooDB
Lens culinarisFooDB
Lentinus edodesFooDB
Leonurus cardiacaLOTUS Database
Leonurus persicusKNApSAcK Database
Lepidium cartilagineumLOTUS Database
Lepidium sativumFooDB
Leptarrhena pyrolifoliaKNApSAcK Database
Lespedeza bicolorPlant
Lespedeza cuneata G. DonPlant
Lespedeza tomentosaPlant
Lespedeza virgataLOTUS Database
Levisticum officinaleFooDB
Libocedrus bidwilliiLOTUS Database
Ligustrum obtusifoliumLOTUS Database
Ligustrum vulgareLOTUS Database
Linum usitatissimumFooDB
Liquidambar formosanaKNApSAcK Database
Liriodendron chinenseLOTUS Database
Litchi chinensisFooDB
Lonicera japonicaLOTUS Database
Lotus corniculatusKNApSAcK Database
Lotus glaberLOTUS Database
Lotus japonicusKNApSAcK Database
Luetkea pectinataLOTUS Database
Luffa aegyptiacaFooDB
LupinusFooDB
Lupinus albusFooDB
Lupinus albus L.KNApSAcK Database
Lygodium flexuosumLOTUS Database
Lysimachia christinaePlant
Lysimachia clethroidesLOTUS Database
Lysimachia davuricaLOTUS Database
Lysimachia nummulariaPlant
MacadamiaFooDB
Macadamia tetraphyllaFooDB
Magnolia salicifoliaLOTUS Database
Malpighia emarginataFooDB
MalusFooDB
Malus pumilaFooDB
Mammea americanaFooDB
Mandevilla martianaLOTUS Database
Mangifera indicaFooDB
Manihot esculentaFooDB
Manilkara zapotaFooDB
Marah oreganaLOTUS Database
Marah oreganusKNApSAcK Database
Maranta arundinaceaFooDB
Marrubium anisodonLOTUS Database
Marrubium cylleneumLOTUS Database
Matricaria chamomillaKNApSAcK Database
Matricaria recutitaPlant
Matteuccia struthiopterisFooDB
Mayaca fluviatilisLOTUS Database
Meconopsis quintuplinerviaLOTUS Database
Medicago arboreaLOTUS Database
Medicago sativaFooDB
Melilotus sulcatusLOTUS Database
Melissa officinalis L.FooDB
Melochia corchorifoliaPlant
Menisciopsis penangianaLOTUS Database
MenthaFooDB
Mentha aquaticaFooDB
Mentha arvensisFooDB
Mentha spicataFooDB
Mentha x piperitaFooDB
Mespilus germanicaFooDB
Metroxylon saguFooDB
Micranthes micranthidifoliaLOTUS Database
Mikania laevigataLOTUS Database
Millettia zechianaLOTUS Database
Momordica charantiaFooDB
Monochaetun multiflorum-
MorchellaceaeFooDB
Morella rubraFooDB
Moringa oleiferaPlant
Moringa peregrinaPlant
Moringa stenopetalaPlant
MorusFooDB
Morus albaPlant
Morus alba L.KNApSAcK Database
Morus insignisKNApSAcK Database
Morus nigraFooDB
Mosla chinensisLOTUS Database
Mukdenia rossiiLOTUS Database
Musa acuminataFooDB
Musa x paradisiacaFooDB
MyricaFooDB
Myristica fragransFooDB
Myrsine seguiniiLOTUS Database
Nardostachys jatamansiLOTUS Database
Nasturtium officinaleLOTUS Database
NelumboFooDB
Nelumbo nuciferaFooDB
Nephelium lappaceumFooDB
Nigella sativaLOTUS Database
Nuphar luteaFooDB
Nyctanthes arbor-tristisLOTUS Database
Nyctanthes arbortristisKNApSAcK Database
Nymphaea caeruleaKNApSAcK Database
Nymphaea guineensisLOTUS Database
Nymphaea nouchaliLOTUS Database
Nymphaea stellataKNApSAcK Database
Ochna beddomeiKNApSAcK Database
Ochna obtusataKNApSAcK Database
Ochradenus baccatusLOTUS Database
Ocimum basilicumFooDB
Ocotea vellozianaLOTUS Database
Oenothera biennisFooDB
Oenothera brachycarpaLOTUS Database
Oenothera canescensLOTUS Database
Oenothera glaziovianaLOTUS Database
Olea europaeaFooDB
Onobrychis amoenaKNApSAcK Database
Onobrychis bobroviKNApSAcK Database
Onobrychis bobroviiLOTUS Database
Onobrychis chlorassanicaKNApSAcK Database
Onobrychis echidnaKNApSAcK Database
Onobrychis ferganicaKNApSAcK Database
Onobrychis grandisKNApSAcK Database
Onobrychis ibericaPlant
Onobrychis kacheticaLOTUS Database
Onobrychis seravschanicaKNApSAcK Database
Ononis leiospermaKNApSAcK Database
Ononis spinosaLOTUS Database
OpuntiaFooDB
Opuntia cochenilliferaFooDB
Opuntia ficus-indicaLOTUS Database
Opuntia ficus-indica var.sabotenPlant
Opuntia macrorhizaFooDB
Orchis militarisLOTUS Database
Origanum majoranaFooDB
Origanum onitesFooDB
Origanum vulgareFooDB
Origanum X majoricumFooDB
Orostachys japonicaLOTUS Database
Oryza rufipogonFooDB
Oryza sativaFooDB
Osbeckia chinensisLOTUS Database
Ostericum maximowicziiLOTUS Database
Oxytropis myriophyllaLOTUS Database
Pachyrhizus erosusFooDB
Paeonia lactifloraLOTUS Database
Panax ginsengFooDB
Panax ginseng C.A.Meyer.Plant
Pangium eduleFooDB
Panicum miliaceumFooDB
Papaver rhoeasLOTUS Database
Parietaria officinalisLOTUS Database
Parinari parvifoliaLOTUS Database
Parnassia grandifoliaLOTUS Database
Passiflora edulisFooDB
Pastinaca sativaFooDB
Pediomelum esculentumFooDB
Pelargonium reniformeKNApSAcK Database
Perideridia oreganaFooDB
Persea americanaFooDB
Persicaria decipiensLOTUS Database
Persicaria hydropiperLOTUS Database
Persicaria lapathifoliaLOTUS Database
Persicaria tinctoriaLOTUS Database
Petasites japonicusFooDB
Petroselinum crispumFooDB
Phaseolus coccineusFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
Phegopteris connectilisKNApSAcK Database
Phellodendron amurenseKNApSAcK Database
Phellodendron amurense var.wilsoniiPlant
Philadelphus lewisiiLOTUS Database
Phlomis caucasicaKNApSAcK Database
Phlomis purpureaLOTUS Database
Phlomis spectabilisKNApSAcK Database
Phlomis spinidensKNApSAcK Database
Phlomoides spectabilisLOTUS Database
Phoenix dactyliferaFooDB
Photinia melanocarpaFooDB
Phyllanthus emblicaLOTUS Database
Phyllanthus niruriKNApSAcK Database
Phyllanthus tenellusLOTUS Database
Phyllanthus virgatusLOTUS Database
Phyllostachys edulisFooDB
PhysalisFooDB
Physalis minimaLOTUS Database
Physalis philadelphica var. immaculataFooDB
Phytolacca americanaFooDB
Picea abiesLOTUS Database
Picea obovataLOTUS Database
Pieris brassicaeLOTUS Database
Pilularia globuliferaLOTUS Database
Pimenta dioicaFooDB
Pimpinella anisumFooDB
Pinalia floribundaLOTUS Database
PinusFooDB
Pinus banksianaLOTUS Database
Pinus contortaLOTUS Database
Pinus edulisFooDB
Pinus slyvestrisPlant
Pinus sylvestrisPlant
Piper nigrum L.FooDB
Pistacia veraFooDB
Pisum sativumFooDB
Platanus x hispanicaLOTUS Database
Pleurotus ostreatusFooDB
Podocarpus fasciculusKNApSAcK Database
Podocarpus nivalisKNApSAcK Database
Podophyllum hexandrumPlant
Podophyllum peltatumPlant
Polygonatum orientaleLOTUS Database
Polygonum alpinumFooDB
Polygonum aviculareLOTUS Database
Polygonum cognatumLOTUS Database
Polygonum nodosumLOTUS Database
Polygonum salicifoliumPlant
Polygonum tenueLOTUS Database
Polypodium virginianumLOTUS Database
Portulaca oleraceaFooDB
Potentilla anserinaLOTUS Database
Potentilla tanacetifoliaLOTUS Database
Pouteria sapotaFooDB
Premna flavescensLOTUS Database
Primula verisPlant
Prunus armeniacaFooDB
Prunus aviumFooDB
Prunus avium L.FooDB
Prunus cerasusFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus padusLOTUS Database
Prunus persicaFooDB
Prunus persica var. nucipersicaFooDB
Prunus persica var. persicaFooDB
Prunus tomentosaFooDB
Prunus virginianaFooDB
Pseudocyclosorus esquiroliiLOTUS Database
Psidium cattleianumFooDB
Psidium guajavaFooDB
Psophocarpus tetragonolobusFooDB
Pteridium aquilinumKNApSAcK Database
Pteridium esculentumLOTUS Database
Pteridium revolutumLOTUS Database
Pulsatilla cernuaKNApSAcK Database
Punica granatumKNApSAcK Database
Pyrola chloranthaLOTUS Database
Pyrola spp.KNApSAcK Database
Pyrrosia linguaPlant
Pyrus communisFooDB
Pyrus pyrifoliaFooDB
QuercusFooDB
Quercus dentataLOTUS Database
Quercus laurifoliaLOTUS Database
Quercus ponticaLOTUS Database
Raoulia hookeriLOTUS Database
Raphanus sativusFooDB
Raphanus sativus var. longipinnatusFooDB
Raphanus sativus var. sativusFooDB
Rheum rhabarbarumFooDB
Rhodiola roseaLOTUS Database
Ribes aureumFooDB
Ribes glandulosumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
Ribes viscosissimumLOTUS Database
Ricinus communisLOTUS Database
Rollinia dolabripetalaKNApSAcK Database
Rorippa indicaLOTUS Database
RosaFooDB
Rosa agrestisLOTUS Database
Rosa damascenaLOTUS Database
Rosa gallicaLOTUS Database
Rosa rugosaLOTUS Database
Rubus arcticusFooDB
Rubus chamaemorusFooDB
Rubus hirsutusPlant
Rubus idaeusFooDB
Rubus occidentalisFooDB
Rubus rigidusLOTUS Database
Rubus spectabilisFooDB
Rubus ulmifoliusLOTUS Database
Rudbeckia fulgidaLOTUS Database
RumexFooDB
Rumex acetosaFooDB
Rumex articusFooDB
Sagittaria latifoliaFooDB
Saintpaulia ionathaKNApSAcK Database
Salix capreaLOTUS Database
Salix pulchraFooDB
Salvadora persicaLOTUS Database
Salvia cavalerieiKNApSAcK Database
Salvia elegansFooDB
Salvia hispanicaFooDB
Salvia officinalisFooDB
Salvia rosmarinusFooDB
Sambucus nigraFooDB
Sambucus nigra L.FooDB
Sapium haematospermumKNApSAcK Database
Sapium japonicumLOTUS Database
Sarcodes sanguineaLOTUS Database
Sarracenia minorLOTUS Database
Satureja hortensis L.FooDB
Satureja montanaFooDB
Saussurea mongolicaLOTUS Database
Saxifraga stellarisPlant
Scaphium affineLOTUS Database
Scolymus hispanicusPlant
Scorzonera hispanicaFooDB
Secale cerealeFooDB
Sechium eduleFooDB
Sempervivum ruthenicumLOTUS Database
Senna alexandrinaLOTUS Database
Serenoa repensLOTUS Database
Sesamum indicumFooDB
Sesbania bispinosaFooDB
Silphium perfoliatumLOTUS Database
Silphium perfoliatum L.KNApSAcK Database
Sinapis albaFooDB
Sinapis arvensisLOTUS Database
Sinoadina racemosaPlant
Sinocrassula indicaKNApSAcK Database
SisymbriumFooDB
Smyrnium perfoliatumLOTUS Database
Solanum crinitumLOTUS Database
Solanum dulcamaraLOTUS Database
Solanum elaeagnifoliumKNApSAcK Database
Solanum incanumLOTUS Database
Solanum lycopersicumFooDB
Solanum lycopersicum var. cerasiformeFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum pubescensLOTUS Database
Solanum quitoenseFooDB
Solanum tuberosumFooDB
Solenostemma argelKNApSAcK Database
Solidago altissimaKNApSAcK Database
Solidago canadensis var. scabraPlant
Sophora japonicaKNApSAcK Database
Sorbaria arboreaPlant
Sorbaria sorbifoliaPlant
Sorbus aucupariaFooDB
Sorghum bicolorFooDB
Spermacoce laevis Roxb.KNApSAcK Database
Spermacoce remotaLOTUS Database
Sphagneticola calendulaceaLOTUS Database
Spinacia oleraceaFooDB
Spiraea formosanaKNApSAcK Database
Stachyurus himalaicusLOTUS Database
Stenochlaena palustrisKNApSAcK Database
Strophocaulon unitumLOTUS Database
Strychnos spinosaKNApSAcK Database
Styphnolobium japonicumPlant
Symphyotrichum eatoniiLOTUS Database
Symphyotrichum subulatumLOTUS Database
Syringa vulgarisLOTUS Database
Syzygium aromaticumFooDB
Syzygium cuminiFooDB
Syzygium jambosFooDB
Tadehagi triquetrumLOTUS Database
Tamarindus indicaFooDB
Taraxacum officinaleFooDB
Tephrosia calophyllaKNApSAcK Database
Tetragonia tetragonioidesFooDB
Tetrapanax papyriferPlant
Tetrapanax papyriferusKNApSAcK Database
ThelespermaFooDB
Thelypteris nipponicaKNApSAcK Database
Thelypteris palustrisLOTUS Database
Thymus pulegioidesFooDB
Thymus vulgarisFooDB
Tilia cordataFooDB
Tilia L.FooDB
Tilia tomentosaLOTUS Database
Trachelospermum jasminoidesLOTUS Database
Tragopogon porrifoliusFooDB
Triadica sebiferaLOTUS Database
Tribulus alatus Del.KNApSAcK Database
Trifolium ambiguumLOTUS Database
Trifolium pratensePlant
Trifolium repensPlant
Trigonella foenum-graecumFooDB
TriticumFooDB
Triticum aestivumFooDB
Triticum durumFooDB
Triticum speltaFooDB
Triticum turanicumFooDB
Tulipa gesnerianaLOTUS Database
Tylosema esculentumLOTUS Database
Typha angustifoliaFooDB
Ulmus pumilaLOTUS Database
Umbellularia californicaLOTUS Database
Uncaria rhynchophyllaPlant
Urtica dioicaLOTUS Database
VacciniumFooDB
Vaccinium angustifoliumFooDB
Vaccinium angustifolium X Vaccinium corymbosumFooDB
Vaccinium arboreumFooDB
Vaccinium corymbosumFooDB
Vaccinium deliciosumFooDB
Vaccinium elliottiiFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtilloidesFooDB
Vaccinium myrtillusFooDB
Vaccinium ovalifoliumFooDB
Vaccinium ovatumFooDB
Vaccinium oxycoccosFooDB
Vaccinium parvifoliumFooDB
Vaccinium reticulatumFooDB
Vaccinium stamineumFooDB
Vaccinium uliginosumFooDB
Vaccinium vitis-idaeaFooDB
Vahlia capensisLOTUS Database
Valerianella locustaFooDB
VanillaFooDB
Verbena officinalisFooDB
Veronica parvifloraLOTUS Database
Viburnum eduleFooDB
Viburnum urceolatumLOTUS Database
Vicia fabaFooDB
Vicia monanthaLOTUS Database
Vigna aconitifoliaFooDB
Vigna angularisFooDB
Vigna mungoFooDB
Vigna radiataFooDB
Vigna umbellataFooDB
Vigna unguiculataFooDB
Vigna unguiculata ssp. cylindricaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vigna unguiculata var. sesquipedalisFooDB
Vitex quinataLOTUS Database
VitisFooDB
Vitis aestivalisFooDB
Vitis cinereaLOTUS Database
Vitis labruscaFooDB
Vitis rotundifoliaFooDB
Vitis viniferaLOTUS Database
Vitis vinifera L.FooDB
Warburgia ugandensisLOTUS Database
Wikstroemia canescensLOTUS Database
Wikstroemia indicaLOTUS Database
Wisteria floribundaLOTUS Database
Xanthosoma sagittifoliumFooDB
Xylocarpus granatumLOTUS Database
Xylopia aromaticaKNApSAcK Database
Zea maysLOTUS Database
Zea mays L.FooDB
Zingiber officinaleFooDB
Zinnia elegansKNApSAcK Database
ZizaniaFooDB
Zizania aquaticaFooDB
Ziziphus zizyphusFooDB
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glycosides
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point296.00 to  297.00 °C. @  760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility1.87 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP4.397 (est)The Good Scents Company Information System
Predicted Properties
PropertyValueSource
logP0.52ALOGPS
logP0.16ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)6.37ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area186.37 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity107.29 m³·mol⁻¹ChemAxon
Polarizability42.39 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0037429  
DrugBank IDNot Available
Phenol Explorer Compound ID319  
FoodDB IDFDB016478  
KNApSAcK IDC00005138  
Chemspider ID4445311  
KEGG Compound IDC12249  
BioCyc IDCPD1F-453  
BiGG IDNot Available
Wikipedia LinkAstragalin  
METLIN IDNot Available
PubChem Compound5282102  
PDB IDNot Available
ChEBI ID30200  
Good Scents IDrw1051431  
References
General References
  1. Wei Y, Xie Q, Fisher D, Sutherland IA: Separation of patuletin-3-O-glucoside, astragalin, quercetin, kaempferol and isorhamnetin from Flaveria bidentis (L.) Kuntze by elution-pump-out high-performance counter-current chromatography. J Chromatogr A. 2011 Sep 9;1218(36):6206-11. doi: 10.1016/j.chroma.2011.01.058. Epub 2011 Jan 28. [PubMed:21329934  ] 
  2. Kim MS, Kim SH: Inhibitory effect of astragalin on expression of lipopolysaccharide-induced inflammatory mediators through NF-kappaB in macrophages. Arch Pharm Res. 2011 Dec;34(12):2101-7. doi: 10.1007/s12272-011-1213-x. Epub 2011 Dec 31. [PubMed:22210036  ] 
  3. Saito S, Silva G, Santos RX, Gosmann G, Pungartnik C, Brendel M: Astragalin from Cassia alata induces DNA adducts in vitro and repairable DNA damage in the yeast Saccharomyces cerevisiae. Int J Mol Sci. 2012;13(3):2846-62. doi: 10.3390/ijms13032846. Epub 2012 Mar 5. [PubMed:22489129  ] 
  4. Ke M, Hu XQ, Ouyang J, Dai B, Xu Y: The effect of astragalin on the VEGF production of cultured Muller cells under high glucose conditions. Biomed Mater Eng. 2012;22(1-3):113-9. doi: 10.3233/BME-2012-0696. [PubMed:22766709  ] 
  5. Kazuma, K., et al. (2003). Kazuma, K., et al, Phytochemistry 62, 229 (2003). Phytochem..