NP-MRD: Showing NP-Card for Asperuloside (NP0047129)

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Record Information

Version

2.0

Created at

2022-03-17 20:35:07 UTC

Updated at

2022-03-17 20:35:07 UTC

NP-MRD ID

NP0047129

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Asperuloside

Description

Asperuloside is found in Apis cerana, Arbutus unedo, Asperula odorata , Asperula spp., Coprosma propinqua, Coprosma pyrifolium, Coprosma robusta , Coprosma tenuifolia, Crucianella spp., Cruciata pedemontana, Cruciata taurica, Cruckshanksia verticillata, Damnacanthus macrophyllus, Daphniphyllum macropodum, Daphniphyllum spp., Escallonia alpina, Escallonia pulverulenta, Escallonia spp., Eucommia ulmoides, Fouquieria splendens, Galium album, Galium aparine , Galium asparine, Galium humifusum, Galium mirum, Galium mollugo, Galium rhodopeum, Galium spp., Galium spurium, Globularia bisnagarica, Globularia cordifolia, Globularia davisiana, Globularia nudicaulis, Globularia orientalis, Globularia trichosantha, Globularia vulgaris L., Oldenlandia hedyotidea, Heterophyllaea pustulata, Diodella teres, Lamium amplexicaule, Lasianthus fordii, Lasianthus wallichii, Wollastonia biflora , Mitchella undulata, Morinda citrifolia , Morinda coreia, Gynochthodes officinalis, Oldenlandia corymbosa, Oldenlandia diffusa , Oldenlandia herbacea, Paederia foetida , Paederia scandens , Pentas lanceolata, Plantago altissima , Plantago bellardi, Plantago bellardii, Plantago cretica, Plantago lagopus, Plantago lanceolata , Plantago major , Plantago ovata , Plocama calabrica, Rubia tinctorum and Saprosma scortechinii. Asperuloside was first documented in 1952 (PMID: 14915952).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241221492D          

 29 32  0  0  1  0            999 V2000
   -2.7894    1.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650    1.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5798    2.0768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5257    0.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013    0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -0.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0447   -1.3174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7497   -0.8890    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9031   -0.0783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6818    0.1942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3071   -0.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538   -1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3751   -1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565   -2.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4850   -2.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343   -2.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351    1.0048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138    1.2773    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7672    2.0879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5459    2.3604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1712    1.8223    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0179    1.0117    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2392    0.7392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6432    0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4899   -0.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9499    2.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6992    3.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    2.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  8 17  1  1  0  0  0
 11 18  1  6  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  1  0  0  0
 25 26  1  0  0  0  0
 22 27  1  6  0  0  0
 21 28  1  1  0  0  0
 20 29  1  6  0  0  0
M  END


  Mrv0541 02241221492D          

 29 32  0  0  1  0            999 V2000
   -2.7894    1.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650    1.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5798    2.0768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5257    0.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013    0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -0.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0447   -1.3174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7497   -0.8890    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9031   -0.0783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6818    0.1942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3071   -0.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538   -1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3751   -1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565   -2.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4850   -2.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343   -2.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351    1.0048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138    1.2773    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7672    2.0879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5459    2.3604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1712    1.8223    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0179    1.0117    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2392    0.7392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6432    0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4899   -0.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9499    2.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6992    3.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    2.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  8 17  1  1  0  0  0
 11 18  1  6  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  1  0  0  0
 25 26  1  0  0  0  0
 22 27  1  6  0  0  0
 21 28  1  1  0  0  0
 20 29  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0047129

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23

> <INCHI_IDENTIFIER>
InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1

> <INCHI_KEY>
IBIPGYWNOBGEMH-DILZHRMZSA-N

> <FORMULA>
C18H22O11

> <MOLECULAR_WEIGHT>
414.3607

> <EXACT_MASS>
414.116211546

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
38.55308104540277

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(4S,7S,8S,11S)-2-oxo-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

> <ALOGPS_LOGP>
-1.04

> <JCHEM_LOGP>
-2.4078861633333326

> <ALOGPS_LOGS>
-1.37

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.207093917847061

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.439472118516169

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810847615636256

> <JCHEM_POLAR_SURFACE_AREA>
161.21

> <JCHEM_REFRACTIVITY>
90.83529999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.75e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
asperuloside

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -5.207   2.457   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.668   2.515   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -2.949   3.877   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -2.848   1.211   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.309   1.270   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.489  -0.034   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.084  -1.455   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.083  -2.459   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.399  -1.659   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.686  -0.146   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.139   0.363   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.307  -0.642   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.020  -2.155   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.567  -2.664   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.972  -4.084   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.772  -5.400   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.437  -3.958   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       3.426   1.876   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.879   2.384   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.165   3.897   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.619   4.406   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.786   3.402   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.500   1.889   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.047   1.380   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       8.667   0.884   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       8.381  -0.629   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       9.240   3.910   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       6.905   5.919   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       3.998   4.902   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   17                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9    6   11                                                  
CONECT   11   10   12   18                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    9   15                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15    8                                                       
CONECT   18   11   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21   29                                                  
CONECT   21   20   22   28                                                  
CONECT   22   21   23   27                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23   19                                                       
CONECT   25   23   26                                                       
CONECT   26   25                                                            
CONECT   27   22                                                            
CONECT   28   21                                                            
CONECT   29   20                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   64    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₂O₁₁

Average Mass

414.3607 Da

Monoisotopic Mass

414.11621 Da

IUPAC Name

[(4S,7S,8S,11S)-2-oxo-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

Traditional Name

asperuloside

CAS Registry Number

14259-45-1

SMILES

CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23

InChI Identifier

InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1

InChI Key

IBIPGYWNOBGEMH-DILZHRMZSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Apis cerana	LOTUS Database	35616633
Arbutus unedo	LOTUS Database	35616633
Asperula odorata	Plant	KNApSAcK
Asperula spp.	Plant	KNApSAcK
Coprosma propinqua	Plant	KNApSAcK
Coprosma pyrifolium	Plant	KNApSAcK
Coprosma robusta	Plant	KNApSAcK
Coprosma tenuifolia	LOTUS Database	35616633
Crucianella spp.	Plant	KNApSAcK
Cruciata pedemontana	LOTUS Database	35616633
Cruciata taurica	Plant	KNApSAcK
Cruckshanksia verticillata	LOTUS Database	35616633
Damnacanthus macrophyllus	LOTUS Database	35616633
Daphniphyllum macropodum	Plant	KNApSAcK
Daphniphyllum spp.	Plant	KNApSAcK
Escallonia alpina	LOTUS Database	35616633
Escallonia pulverulenta	LOTUS Database	35616633
Escallonia spp.	Plant	KNApSAcK
Eucommia ulmoides	LOTUS Database	35616633
Fouquieria splendens	LOTUS Database	35616633
Galium album	LOTUS Database	35616633
Galium aparine	Plant	KNApSAcK
Galium asparine	Plant	KNApSAcK
Galium humifusum	LOTUS Database	35616633
Galium mirum	LOTUS Database	35616633
Galium mollugo	LOTUS Database	35616633
Galium rhodopeum	LOTUS Database	35616633
Galium spp.	Plant	KNApSAcK
Galium spurium	LOTUS Database	35616633
Globularia bisnagarica	LOTUS Database	35616633
Globularia cordifolia	LOTUS Database	35616633
Globularia davisiana	Plant	KNApSAcK
Globularia nudicaulis	LOTUS Database	35616633
Globularia orientalis	LOTUS Database	35616633
Globularia trichosantha	Plant	KNApSAcK
Globularia vulgaris L.	Plant	KNApSAcK
Hedyotis hedyotidea	LOTUS Database	35616633
Heterophyllaea pustulata	LOTUS Database	35616633
Hexasepalum teres	LOTUS Database	35616633
Lamium amplexicaule	LOTUS Database	35616633
Lasianthus fordii	LOTUS Database	35616633
Lasianthus wallichii	Plant	KNApSAcK
Melanthera biflora	Plant	KNApSAcK
Mitchella undulata	LOTUS Database	35616633
Morinda citrifolia	Plant	KNApSAcK
Morinda coreia	Plant	KNApSAcK
Morinda officinalis	LOTUS Database	35616633
Oldenlandia corymbosa	Plant	KNApSAcK
Oldenlandia diffusa	Plant	KNApSAcK
Oldenlandia herbacea	LOTUS Database	35616633
Paederia foetida	Plant	KNApSAcK
Paederia scandens	Plant	KNApSAcK
Pentas lanceolata	LOTUS Database	35616633
Plantago altissima	Plant	KNApSAcK
Plantago bellardi	Plant	KNApSAcK
Plantago bellardii	LOTUS Database	35616633
Plantago cretica	Plant	KNApSAcK
Plantago lagopus	Plant	KNApSAcK
Plantago lanceolata	Plant	KNApSAcK
Plantago major	Plant	KNApSAcK
Plantago ovata	Plant	KNApSAcK
Plocama calabrica	LOTUS Database	35616633
Rubia tinctorum	Plant	KNApSAcK
Saprosma scortechinii	Plant	KNApSAcK
Vaccinium myrtillus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
O-glycosyl compound
Furopyran
Dicarboxylic acid or derivatives
Gamma butyrolactone
Monosaccharide
Oxane
Pyran
Vinylogous ester
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Furan
Secondary alcohol
Carboxylic acid ester
Lactone
Organoheterocyclic compound
Carboxylic acid derivative
Polyol
Oxacycle
Acetal
Primary alcohol
Carbonyl group
Organic oxide
Alcohol
Hydrocarbon derivative
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

beta-D-glucoside (CHEBI:2881 )
acetate ester (CHEBI:2881 )
monosaccharide derivative (CHEBI:2881 )
gamma-lactone (CHEBI:2881 )
iridoid monoterpenoid (CHEBI:2881 )
Iridoids (C09769 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-1	ALOGPS
logP	-2.4	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	5.44	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	161.21 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	90.84 m³·mol⁻¹	ChemAxon
Polarizability	38.55 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

FDB007455

KNApSAcK ID

C00003072

Chemspider ID

Not Available

KEGG Compound ID

C09769

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

2881

Good Scents ID

Not Available

References

General References

INOUYE H, FUJI K: [ON MONOTERPENE GLYCOSIDES. 3. THE STEREOCHEMICAL RELATIONSHIP BETWEEN MONOTROPEINE, ASPERULOSIDE AND AUCUBIN AND THE ABSOLUTE CONFIGURATION OF THE LATTER]. Chem Pharm Bull (Tokyo). 1964 Aug;12:901-5. doi: 10.1248/cpb.12.901. [PubMed:14220867 ]
INOUYE H, ARAI T: [ON MONOTERPENE GLYCOSIDES. II. ON THE STEREOCHEMISTRY OF BISDESOXYDIHYDROMONOTROPEINE, A HYDROGENATION PRODUCT OF MONOTROPEINE AND ASPERULOSIDE]. Chem Pharm Bull (Tokyo). 1964 Aug;12:968-71. doi: 10.1248/cpb.12.968. [PubMed:14220877 ]
TRIM AR: The accumulation and utilization of asperuloside in the Rubiaceae. Biochem J. 1952 Jan;50(3):319-26. doi: 10.1042/bj0500319. [PubMed:14915952 ]
Mathe I Jr, Vadasz A, Mathe I, Szabo L, Tetenyi P: Variation in the asperuloside production of Galium verum. Planta Med. 1982 Jul;45(3):158. doi: 10.1055/s-2007-971341. [PubMed:17396882 ]
Inouye H, Ueda S, Takeda Y: [Loganine as precursor in the biosynthesis of asperuloside]. Z Naturforsch B. 1969 Dec;24(12):1666-7. [PubMed:4391591 ]
Nomura S: [Studies on the iridoid glycoside of the plants of genus Galium (rubiaceae). Distribution of asperuloside]. Yakugaku Zasshi. 1969 Feb;89(2):287-9. doi: 10.1248/yakushi1947.89.2_287. [PubMed:5815526 ]

Showing NP-Card for Asperuloside (NP0047129)

MOL for NP0047129 (Asperuloside)

3D MOL for NP0047129 (Asperuloside)

3D SDF for NP0047129 (Asperuloside)

3D-SDF for NP0047129 (Asperuloside)

PDB for NP0047129 (Asperuloside)

3D PDB for NP0047129 (Asperuloside)

SMILES for NP0047129 (Asperuloside)

INCHI for NP0047129 (Asperuloside)

Structure for NP0047129 (Asperuloside)

3D Structure for NP0047129 (Asperuloside)