NP-MRD: Showing NP-Card for Soyasaponin I (NP0048033)

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Record Information

Version

2.0

Created at

2022-03-17 20:50:00 UTC

Updated at

2022-03-17 20:50:00 UTC

NP-MRD ID

NP0048033

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Soyasaponin I

Description

Soyasaponin I, also known as SCM 3B, belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Soyasaponin I is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Soyasaponin I is found, on average, in the highest concentration within soy beans. Soyasaponin I has also been detected, but not quantified in, several different foods, such as chickpea, common pea, lentils, and pulses. Soyasaponin I is found in Abrus fruticulosus, Abrus pulchellus, Arachis hypogaea, Astragalus icmadophilus, Astragalus membranaceus, Astragalus shikokianus, Astragalus sikokianus, Crotalaria albida, Sophora koreensis, Glycyrrhiza glabra, Gueldenstaedtia multiflora , Gueldenstaedtia verna, Hedysarum polybotrys, Impatiens siculifer, Lupinus angustifolius, Lupinus oreophilus, Lupinus polyphyllus, Medicago arabica, Medicago arborea, Medicago citrina, Medicago polymorpha, Medicago sativa , Medicago truncatula, Melilotus messanensis, Melilotus officinalis, Phaseolus spp., Pueraria montana, Rothia indica, Sophora flavescens , Sophora tonkinensis, Sorbus cuspidata, Styphnolobium japonicum, Trifolium alexandrinum, Trifolium argutum, Trifolium pratense, Trifolium repens , Trifolium resupinatum, Vigna angularis , Vigna mungo and Wisteria brachybotrys. This could make soyasaponin I a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05061310502D          

 66 73  0  0  0  0            999 V2000
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M  END


  Mrv0541 05061310502D          

 66 73  0  0  0  0            999 V2000
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 56 33  1  0  0  0  0
 57 34  1  0  0  0  0
 58 35  1  0  0  0  0
 59 39  2  0  0  0  0
 60 39  1  0  0  0  0
 61 21  1  0  0  0  0
 61 40  1  0  0  0  0
 62 24  1  0  0  0  0
 62 41  1  0  0  0  0
 63 28  1  0  0  0  0
 63 42  1  0  0  0  0
 64 36  1  0  0  0  0
 64 42  1  0  0  0  0
 65 37  1  0  0  0  0
 65 40  1  0  0  0  0
 66 38  1  0  0  0  0
 66 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0048033

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)

> <INCHI_KEY>
PTDAHAWQAGSZDD-UHFFFAOYSA-N

> <FORMULA>
C48H78O18

> <MOLECULAR_WEIGHT>
943.1221

> <EXACT_MASS>
942.518815692

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
102.40149044848921

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
2.17

> <JCHEM_LOGP>
0.9462361783333327

> <ALOGPS_LOGS>
-3.62

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.048865762032221

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.317895772495015

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648674430892787

> <JCHEM_POLAR_SURFACE_AREA>
294.98

> <JCHEM_REFRACTIVITY>
230.76110000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.25e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -7.169 -18.495   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.825  -0.375   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.845  -0.375   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.168  -5.405   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.166  -5.405   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.822 -10.434   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.167  -7.715   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.820  -5.482   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.834  -3.865   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.500  -4.635   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.500  -9.255   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.501  -6.945   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.833  -6.175   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.834  -8.485   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.835  -6.175   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.501  -6.945   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.501  -2.325   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.168  -2.325   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -9.837 -10.795   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.157 -10.434   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.836 -17.725   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.167  -4.635   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.501  -3.865   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.503 -11.565   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.166  -8.485   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.500  -6.175   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.168  -3.865   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.501  -8.485   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.502 -18.495   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -8.503 -13.105   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.168 -17.725   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -7.169 -13.875   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -5.836  -6.945   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.836  -8.485   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -3.168 -16.185   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.502  -6.175   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.836 -13.105   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -4.502  -9.255   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -4.502  -4.635   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -4.502 -15.415   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -5.836 -11.565   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -3.168  -8.485   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       8.835  -1.555   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       8.835  -4.635   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       2.166  -6.945   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       0.833  -9.255   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       6.167  -6.175   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       4.834  -6.945   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      -9.837  -9.255   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0       0.370 -11.882   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      11.502  -4.635   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      -4.502 -20.035   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      -9.837 -13.875   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0      -1.835 -18.495   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0      -7.169 -15.415   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0      -7.169  -6.175   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      -7.169  -9.255   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      -1.835 -15.415   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0      -3.168  -3.865   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0      -5.836  -3.865   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      -5.836 -16.185   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0      -7.169 -10.795   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0      -1.835  -9.255   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0      -3.168  -6.945   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0      -4.502 -13.875   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0      -4.502 -10.795   0.000  0.00  0.00           O+0
CONECT    1   21                                                            
CONECT    2   43                                                            
CONECT    3   43                                                            
CONECT    4   44                                                            
CONECT    5   45                                                            
CONECT    6   46                                                            
CONECT    7   47                                                            
CONECT    8   48                                                            
CONECT    9   10   22                                                       
CONECT   10    9   26                                                       
CONECT   11   14   25                                                       
CONECT   12   13   28                                                       
CONECT   13   12   45                                                       
CONECT   14   11   48                                                       
CONECT   15   16   44                                                       
CONECT   16   15   47                                                       
CONECT   17   23   43                                                       
CONECT   18   27   43                                                       
CONECT   19   24   49                                                       
CONECT   20   46   50                                                       
CONECT   21    1   29   61                                                  
CONECT   22    9   23   47                                                  
CONECT   23   17   22   44                                                  
CONECT   24   19   30   62                                                  
CONECT   25   11   45   46                                                  
CONECT   26   10   45   48                                                  
CONECT   27   18   44   51                                                  
CONECT   28   12   46   63                                                  
CONECT   29   21   31   52                                                  
CONECT   30   24   32   53                                                  
CONECT   31   29   35   54                                                  
CONECT   32   30   37   55                                                  
CONECT   33   34   36   56                                                  
CONECT   34   33   38   57                                                  
CONECT   35   31   40   58                                                  
CONECT   36   33   39   64                                                  
CONECT   37   32   41   65                                                  
CONECT   38   34   42   66                                                  
CONECT   39   36   59   60                                                  
CONECT   40   35   61   65                                                  
CONECT   41   37   62   66                                                  
CONECT   42   38   63   64                                                  
CONECT   43    2    3   17   18                                             
CONECT   44    4   15   23   27                                             
CONECT   45    5   13   25   26                                             
CONECT   46    6   20   25   28                                             
CONECT   47    7   16   22   48                                             
CONECT   48    8   14   26   47                                             
CONECT   49   19                                                            
CONECT   50   20                                                            
CONECT   51   27                                                            
CONECT   52   29                                                            
CONECT   53   30                                                            
CONECT   54   31                                                            
CONECT   55   32                                                            
CONECT   56   33                                                            
CONECT   57   34                                                            
CONECT   58   35                                                            
CONECT   59   39                                                            
CONECT   60   39                                                            
CONECT   61   21   40                                                       
CONECT   62   24   41                                                       
CONECT   63   28   42                                                       
CONECT   64   36   42                                                       
CONECT   65   37   40                                                       
CONECT   66   38   41                                                       
MASTER        0    0    0    0    0    0    0    0   66    0  146    0
END

View in JSmol

Synonyms

Value	Source
Oleanane, b-D-glucopyranosiduronic acid deriv.	HMDB
SCM 3b	HMDB
Soyasaponin BB	HMDB
Soybean saponin fraction b1	HMDB
5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylate	Generator

Chemical Formula

C₄₈H₇₈O₁₈

Average Mass

943.1221 Da

Monoisotopic Mass

942.51882 Da

IUPAC Name

5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylic acid

Traditional Name

5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}oxane-2-carboxylic acid

CAS Registry Number

51330-27-9

SMILES

CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)

InChI Key

PTDAHAWQAGSZDD-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abrus fruticulosus	Plant	KNApSAcK
Abrus pulchellus	LOTUS Database	35616633
Arachis hypogaea	LOTUS Database	35616633
Astragalus icmadophilus	LOTUS Database	35616633
Astragalus membranaceus	LOTUS Database	35616633
Astragalus shikokianus	Plant	KNApSAcK
Astragalus sikokianus	LOTUS Database	35616633
Cicer arietinum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Crotalaria albida	LOTUS Database	35616633
Echinosophora koreensis	Plant	KNApSAcK
Glycine max	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Glycyrrhiza glabra	LOTUS Database	35616633
Gueldenstaedtia multiflora	Plant	KNApSAcK
Gueldenstaedtia verna	LOTUS Database	35616633
Hedysarum polybotrys	LOTUS Database	35616633
Impatiens siculifer	Plant	KNApSAcK
Lens culinaris	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lupinus angustifolius	LOTUS Database	35616633
Lupinus oreophilus	LOTUS Database	35616633
Lupinus polyphyllus	LOTUS Database	35616633
Medicago arabica	LOTUS Database	35616633
Medicago arborea	LOTUS Database	35616633
Medicago citrina	LOTUS Database	35616633
Medicago polymorpha	LOTUS Database	35616633
Medicago sativa	Plant	KNApSAcK
Medicago truncatula	LOTUS Database	35616633
Melilotus messanensis	Plant	KNApSAcK
Melilotus officinalis	LOTUS Database	35616633
Phaseolus spp.	Plant	KNApSAcK
Phaseolus vulgaris	FooDB	PHYTOHUB
Pisum sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pueraria montana	LOTUS Database	35616633
Rothia indica	LOTUS Database	35616633
Sophora flavescens	Plant	KNApSAcK
Sophora tonkinensis	LOTUS Database	35616633
Sorbus cuspidata	LOTUS Database	35616633
Styphnolobium japonicum	LOTUS Database	35616633
Trifolium alexandrinum	LOTUS Database	35616633
Trifolium argutum	Plant	KNApSAcK
Trifolium pratense	LOTUS Database	35616633
Trifolium repens	Plant	KNApSAcK
Trifolium resupinatum	Plant	KNApSAcK
Vigna angularis	Plant	KNApSAcK
Vigna mungo	LOTUS Database	35616633
Wisteria brachybotrys	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Triterpene saponins

Alternative Parents

Substituents

Triterpene saponin
Triterpenoid
Oligosaccharide
Steroid
Fatty acyl glycoside
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Glycosyl compound
O-glycosyl compound
Beta-hydroxy acid
Fatty acyl
Hydroxy acid
Pyran
Oxane
Cyclic alcohol
Secondary alcohol
Acetal
Polyol
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Carboxylic acid
Organoheterocyclic compound
Primary alcohol
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Organooxygen compound
Organic oxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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	2.17	ALOGPS
logP	0.95	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	3.32	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	294.98 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	230.76 m³·mol⁻¹	ChemAxon
Polarizability	102.4 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0034649

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5087640

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Soyasaponin I (NP0048033)

MOL for NP0048033 (Soyasaponin I)

3D MOL for NP0048033 (Soyasaponin I)

3D SDF for NP0048033 (Soyasaponin I)

3D-SDF for NP0048033 (Soyasaponin I)

PDB for NP0048033 (Soyasaponin I)

3D PDB for NP0048033 (Soyasaponin I)

SMILES for NP0048033 (Soyasaponin I)

INCHI for NP0048033 (Soyasaponin I)

Structure for NP0048033 (Soyasaponin I)

3D Structure for NP0048033 (Soyasaponin I)