NP-MRD: Showing NP-Card for Soyasaponin ag (NP0049656)

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Record Information

Version

2.0

Created at

2022-03-17 21:15:59 UTC

Updated at

2022-03-17 21:15:59 UTC

NP-MRD ID

NP0049656

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Soyasaponin ag

Description

AzIV 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. AzIV is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, AzIV has been detected, but not quantified in, pulses and soy beans. Soyasaponin ag is found in Phaseolus coccineus and Vigna angularis . This could make aziv a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241207562D          

 76 84  0  0  0  0            999 V2000
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    3.9294    3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3579    3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0729    4.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729    5.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7878    4.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5015    4.5372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv0541 02241207562D          

 76 84  0  0  0  0            999 V2000
    3.9294    4.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294    3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
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 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 21  1  0  0  0  0
 16 23  1  0  0  0  0
 16 76  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 37  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 48  1  0  0  0  0
 40 41  1  0  0  0  0
 40 54  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 61  1  0  0  0  0
 43 44  1  0  0  0  0
 43 71  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 68  1  0  0  0  0
 46 47  1  0  0  0  0
 46 57  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
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 58 59  1  0  0  0  0
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 62 70  1  0  0  0  0
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 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 69 70  1  0  0  0  0
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 73 74  1  0  0  0  0
 74 75  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0049656

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1

> <INCHI_IDENTIFIER>
InChI=1S/C54H84O22/c1-23-34(59)26(58)17-33(69-23)72-32-19-49(2,3)18-25-24-9-10-30-51(5)13-12-31(52(6,22-57)29(51)11-14-54(30,8)53(24,7)16-15-50(25,32)4)73-48-44(40(65)39(64)42(74-48)45(67)68)76-47-43(38(63)36(61)28(21-56)71-47)75-46-41(66)37(62)35(60)27(20-55)70-46/h9,25,27-33,35-44,46-48,55-57,59-66H,10-22H2,1-8H3,(H,67,68)

> <INCHI_KEY>
YLBMNMLHAAOXAL-UHFFFAOYSA-N

> <FORMULA>
C54H84O22

> <MOLECULAR_WEIGHT>
1085.2316

> <EXACT_MASS>
1084.545424372

> <JCHEM_ACCEPTOR_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
114.38489210454509

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-({9-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]-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>
1.85

> <JCHEM_LOGP>
0.5738170303333335

> <ALOGPS_LOGS>
-3.67

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.131850651505095

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3178891078014088

> <JCHEM_PKA_STRONGEST_BASIC>
-3.678622842890803

> <JCHEM_POLAR_SURFACE_AREA>
350.74000000000007

> <JCHEM_REFRACTIVITY>
263.32280000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.35e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-({9-[(5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl)oxy]-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                                 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       7.335   7.699   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.335   6.159   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       8.670   5.390   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      10.001   6.159   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.001   7.699   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.336   8.469   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.336  10.009   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      12.671   7.699   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      14.003   8.469   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.668   7.699   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.668   6.159   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.334   5.390   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.002   6.159   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.667   5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.667   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.002   3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.335   4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.000   5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.000   3.850   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.668   3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.334   3.850   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.334   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.002   1.540   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.667   0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.667   1.540   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.667   3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.667   4.620   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.011  -0.410   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.999   0.770   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.990  -0.410   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -4.507  -0.141   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.991   9.650   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.000   8.469   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.012   9.650   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.999   3.850   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.334   3.080   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -3.334   1.540   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -4.666   0.770   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -6.001   1.540   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -7.335   0.770   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -7.335  -0.770   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -8.667  -1.540   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -8.667  -3.080   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -7.335  -3.850   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -7.335  -5.390   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -6.001  -6.159   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      -4.666  -5.390   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      -6.001   3.080   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      -7.335   3.850   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -7.335   5.390   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      -6.001   6.159   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0     -10.002   3.850   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      -8.667   3.080   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -8.667   1.540   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0     -10.002   0.770   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0      -4.666  -8.469   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0      -6.001  -7.699   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -7.335  -8.469   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0      -7.335 -10.009   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0      -8.667   6.159   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0     -10.002  -0.770   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0     -11.336  -1.540   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0     -12.668  -0.770   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0     -14.003  -1.540   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0     -10.002 -10.009   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0     -10.002  -8.469   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      -8.667  -7.699   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0      -8.667  -6.159   0.000  0.00  0.00           O+0
HETATM   69  O   UNK     0     -12.668  -3.850   0.000  0.00  0.00           O+0
HETATM   70  C   UNK     0     -11.336  -3.080   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0     -10.002  -3.850   0.000  0.00  0.00           C+0
HETATM   72  O   UNK     0     -10.002  -5.390   0.000  0.00  0.00           O+0
HETATM   73  O   UNK     0      11.336   5.390   0.000  0.00  0.00           O+0
HETATM   74  C   UNK     0      12.671   6.159   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      14.003   5.390   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0       2.772   1.745   0.000  0.00  0.00           C+0
CONECT    1    2   33                                                       
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   73                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   74                                                  
CONECT    9    8                                                            
CONECT   10   11   33                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13   21                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   26                                                  
CONECT   16   15   21   23   76                                             
CONECT   17   18                                                            
CONECT   18    2   11   17   19                                             
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   12   16   20   22                                             
CONECT   22   21                                                            
CONECT   23   16   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   29                                                  
CONECT   26   15   25   27   35                                             
CONECT   27   26                                                            
CONECT   28   29                                                            
CONECT   29   25   28   30   37                                             
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   33                                                            
CONECT   33    1   10   32   34                                             
CONECT   34   33                                                            
CONECT   35   26   36                                                       
CONECT   36   35   37                                                       
CONECT   37   29   36   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   48                                                  
CONECT   40   39   41   54                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   61                                                  
CONECT   43   42   44   71                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46   68                                                  
CONECT   46   45   47   57                                                  
CONECT   47   46                                                            
CONECT   48   39   49                                                       
CONECT   49   48   50   53                                                  
CONECT   50   49   51   60                                                  
CONECT   51   50                                                            
CONECT   52   53                                                            
CONECT   53   49   52   54                                                  
CONECT   54   40   53   55                                                  
CONECT   55   54                                                            
CONECT   56   57                                                            
CONECT   57   46   56   58                                                  
CONECT   58   57   59   67                                                  
CONECT   59   58                                                            
CONECT   60   50                                                            
CONECT   61   42   62                                                       
CONECT   62   61   63   70                                                  
CONECT   63   62   64                                                       
CONECT   64   63                                                            
CONECT   65   66                                                            
CONECT   66   65   67                                                       
CONECT   67   58   66   68                                                  
CONECT   68   45   67                                                       
CONECT   69   70                                                            
CONECT   70   62   69   71                                                  
CONECT   71   43   70   72                                                  
CONECT   72   71                                                            
CONECT   73    4   74                                                       
CONECT   74    8   73   75                                                  
CONECT   75   74                                                            
CONECT   76   16                                                            
MASTER        0    0    0    0    0    0    0    0   76    0  168    0
END

View in JSmol

Synonyms

Value	Source
5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-({9-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]-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

C₅₄H₈₄O₂₂

Average Mass

1085.2316 Da

Monoisotopic Mass

1084.54542 Da

IUPAC Name

5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-({9-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]-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-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-({9-[(5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl)oxy]-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

244776-47-4

SMILES

CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1

InChI Identifier

InChI=1S/C54H84O22/c1-23-34(59)26(58)17-33(69-23)72-32-19-49(2,3)18-25-24-9-10-30-51(5)13-12-31(52(6,22-57)29(51)11-14-54(30,8)53(24,7)16-15-50(25,32)4)73-48-44(40(65)39(64)42(74-48)45(67)68)76-47-43(38(63)36(61)28(21-56)71-47)75-46-41(66)37(62)35(60)27(20-55)70-46/h9,25,27-33,35-44,46-48,55-57,59-66H,10-22H2,1-8H3,(H,67,68)

InChI Key

YLBMNMLHAAOXAL-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Glycine max	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Phaseolus coccineus	LOTUS Database	35616633
Vigna angularis	Plant	KNApSAcK

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
Dihydropyranone
Pyran
Fatty acyl
Oxane
Hydroxy acid
Vinylogous ester
Secondary alcohol
Ketone
Cyclic ketone
Oxacycle
Polyol
Carboxylic acid derivative
Carboxylic acid
Organoheterocyclic compound
Acetal
Monocarboxylic acid or derivatives
Alcohol
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Organic oxygen compound
Primary alcohol
Organic oxide
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	1.85	ALOGPS
logP	0.57	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	3.32	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	22	ChemAxon
Hydrogen Donor Count	12	ChemAxon
Polar Surface Area	350.74 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	263.32 m³·mol⁻¹	ChemAxon
Polarizability	114.38 Å³	ChemAxon
Number of Rings	9	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

HMDB0034545

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB020270

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

85058456

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Soyasaponin ag (NP0049656)

MOL for NP0049656 (Soyasaponin ag)

3D MOL for NP0049656 (Soyasaponin ag)

3D SDF for NP0049656 (Soyasaponin ag)

3D-SDF for NP0049656 (Soyasaponin ag)

PDB for NP0049656 (Soyasaponin ag)

3D PDB for NP0049656 (Soyasaponin ag)

SMILES for NP0049656 (Soyasaponin ag)

INCHI for NP0049656 (Soyasaponin ag)

Structure for NP0049656 (Soyasaponin ag)

3D Structure for NP0049656 (Soyasaponin ag)