NP-MRD: Showing NP-Card for (3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester (NP0335587)

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Record Information

Version

2.0

Created at

2024-09-11 02:17:31 UTC

Updated at

2024-09-11 02:17:31 UTC

NP-MRD ID

NP0335587

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester

Description

(3B,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester 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. Based on a literature review very few articles have been published on (3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262304492D          

 93103  0  0  0  0            999 V2000
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M  END


  Mrv2104 05262304492D          

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   -0.7912    1.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0335587

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O

> <INCHI_IDENTIFIER>
InChI=1/C63H102O30/c1-24-47(89-52-46(80)48(28(67)22-83-52)90-51-42(76)36(70)27(66)21-82-51)41(75)45(79)53(85-24)92-50-49(91-55-44(78)40(74)38(72)31(20-65)87-55)29(68)23-84-56(50)93-57(81)63-16-15-58(2,3)17-26(63)25-9-10-33-60(6)13-12-35(88-54-43(77)39(73)37(71)30(19-64)86-54)59(4,5)32(60)11-14-61(33,7)62(25,8)18-34(63)69/h9,24,26-56,64-80H,10-23H2,1-8H3

> <INCHI_KEY>
VXYPUHHQOBARSV-UHFFFAOYNA-N

> <FORMULA>
C63H102O30

> <MOLECULAR_WEIGHT>
1339.479

> <EXACT_MASS>
1338.645591884

> <JCHEM_ACCEPTOR_COUNT>
29

> <JCHEM_ATOM_COUNT>
195

> <JCHEM_AVERAGE_POLARIZABILITY>
138.57603918244672

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
17

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

> <JCHEM_LOGP>
-2.8203091626666676

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
11

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.008029503403161

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.612609561530899

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6786193341644258

> <JCHEM_POLAR_SURFACE_AREA>
471.7400000000002

> <JCHEM_REFRACTIVITY>
310.20649999999983

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      -4.913   3.137   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.581   2.367   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.247   3.137   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.247   4.677   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.389   9.297   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.389   7.637   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.912   6.987   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.247   7.757   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.581   6.987   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.581   5.447   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.913   4.677   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.913   6.217   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.092   9.302   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.014   7.870   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.754   6.987   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.754   5.447   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.420   4.677   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.912   5.447   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.912   3.907   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.115   5.088   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.635   6.302   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       4.724   7.390   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       3.089   4.677   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -6.248   5.447   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -7.580   4.677   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -7.580   3.137   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -8.915   2.367   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -7.236   1.187   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -6.248   2.367   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -5.257   1.187   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.763  11.245   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.747  10.080   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.745  11.245   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -10.249   3.137   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -10.249   4.677   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -11.582   5.447   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -12.916   4.677   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -12.916   3.137   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0     -11.582   2.367   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0     -11.582   6.987   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0     -14.248   5.447   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -8.915   5.447   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       6.212   6.992   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       6.610   5.504   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       8.099   5.106   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       9.187   6.194   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       8.789   7.683   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       7.301   8.081   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0       5.193   4.090   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0       8.497   3.620   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      10.673   5.797   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0       5.368   2.096   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0       6.764   1.443   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0       6.900  -0.089   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       5.637  -0.974   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       4.241  -0.322   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       4.108   1.213   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0       2.712   1.862   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0       2.981  -1.205   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0       5.771  -2.506   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0     -14.248   2.367   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0     -15.583   3.137   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0       8.294  -0.741   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0      11.520   4.190   0.000  0.00  0.00           O+0
HETATM   65  C   UNK     0      10.429   3.102   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      10.830   1.613   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      12.316   1.215   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      13.404   2.303   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      13.006   3.792   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0       7.167  -3.158   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0       7.301  -4.693   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0       8.697  -5.342   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0       9.960  -4.459   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0       9.824  -2.925   0.000  0.00  0.00           C+0
HETATM   75  O   UNK     0       8.430  -2.275   0.000  0.00  0.00           O+0
HETATM   76  O   UNK     0       6.041  -5.576   0.000  0.00  0.00           O+0
HETATM   77  O   UNK     0       8.830  -6.877   0.000  0.00  0.00           O+0
HETATM   78  O   UNK     0      11.353  -5.111   0.000  0.00  0.00           O+0
HETATM   79  C   UNK     0      10.227  -7.526   0.000  0.00  0.00           C+0
HETATM   80  O   UNK     0      11.489  -6.643   0.000  0.00  0.00           O+0
HETATM   81  C   UNK     0      12.885  -7.295   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      13.019  -8.830   0.000  0.00  0.00           C+0
HETATM   83  C   UNK     0      11.756  -9.713   0.000  0.00  0.00           C+0
HETATM   84  C   UNK     0      10.362  -9.061   0.000  0.00  0.00           C+0
HETATM   85  O   UNK     0       9.100  -9.944   0.000  0.00  0.00           O+0
HETATM   86  O   UNK     0      11.892 -11.245   0.000  0.00  0.00           O+0
HETATM   87  O   UNK     0      14.415  -9.479   0.000  0.00  0.00           O+0
HETATM   88  O   UNK     0       9.739   0.525   0.000  0.00  0.00           O+0
HETATM   89  O   UNK     0      12.713  -0.273   0.000  0.00  0.00           O+0
HETATM   90  O   UNK     0      14.892   1.905   0.000  0.00  0.00           O+0
HETATM   91  C   UNK     0      14.094   4.880   0.000  0.00  0.00           C+0
HETATM   92  O   UNK     0      15.583   4.482   0.000  0.00  0.00           O+0
HETATM   93  C   UNK     0      -1.477   3.343   0.000  0.00  0.00           C+0
CONECT    1    2   11   29                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3   10   18   93                                             
CONECT    5    6   32                                                       
CONECT    6    5    7   15                                                  
CONECT    7    6    8   18                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    4    9   11                                                  
CONECT   11    1   10   12   24                                             
CONECT   12   11                                                            
CONECT   13   14   32                                                       
CONECT   14   13   15                                                       
CONECT   15    6   14   16   21                                             
CONECT   16   15   17   23                                                  
CONECT   17   16   18                                                       
CONECT   18    4    7   17   19                                             
CONECT   19   18                                                            
CONECT   20   21                                                            
CONECT   21   15   20   22                                                  
CONECT   22   21   43                                                       
CONECT   23   16                                                            
CONECT   24   11   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   29                                                  
CONECT   27   26   34                                                       
CONECT   28   29                                                            
CONECT   29    1   26   28   30                                             
CONECT   30   29                                                            
CONECT   31   32                                                            
CONECT   32    5   13   31   33                                             
CONECT   33   32                                                            
CONECT   34   27   35   39                                                  
CONECT   35   34   36   42                                                  
CONECT   36   35   37   40                                                  
CONECT   37   36   38   41                                                  
CONECT   38   37   39   61                                                  
CONECT   39   34   38                                                       
CONECT   40   36                                                            
CONECT   41   37                                                            
CONECT   42   35                                                            
CONECT   43   22   44   48                                                  
CONECT   44   43   45   49                                                  
CONECT   45   44   46   50                                                  
CONECT   46   45   47   51                                                  
CONECT   47   46   48                                                       
CONECT   48   43   47                                                       
CONECT   49   44   52                                                       
CONECT   50   45   65                                                       
CONECT   51   46                                                            
CONECT   52   49   53   57                                                  
CONECT   53   52   54                                                       
CONECT   54   53   55   63                                                  
CONECT   55   54   56   60                                                  
CONECT   56   55   57   59                                                  
CONECT   57   52   56   58                                                  
CONECT   58   57                                                            
CONECT   59   56                                                            
CONECT   60   55   70                                                       
CONECT   61   38   62                                                       
CONECT   62   61                                                            
CONECT   63   54                                                            
CONECT   64   65   69                                                       
CONECT   65   50   64   66                                                  
CONECT   66   65   67   88                                                  
CONECT   67   66   68   89                                                  
CONECT   68   67   69   90                                                  
CONECT   69   64   68   91                                                  
CONECT   70   60   71   75                                                  
CONECT   71   70   72   76                                                  
CONECT   72   71   73   77                                                  
CONECT   73   72   74   78                                                  
CONECT   74   73   75                                                       
CONECT   75   70   74                                                       
CONECT   76   71                                                            
CONECT   77   72   79                                                       
CONECT   78   73                                                            
CONECT   79   77   80   84                                                  
CONECT   80   79   81                                                       
CONECT   81   80   82                                                       
CONECT   82   81   83   87                                                  
CONECT   83   82   84   86                                                  
CONECT   84   79   83   85                                                  
CONECT   85   84                                                            
CONECT   86   83                                                            
CONECT   87   82                                                            
CONECT   88   66                                                            
CONECT   89   67                                                            
CONECT   90   68                                                            
CONECT   91   69   92                                                       
CONECT   92   91                                                            
CONECT   93    4                                                            
MASTER        0    0    0    0    0    0    0    0   93    0  206    0
END

View in JSmol

Synonyms

Value	Source
(3b,16a)-Dihydroxy-12-oleanen-28-Oate 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester	Generator

Chemical Formula

C₆₃H₁₀₂O₃₀

Average Mass

1339.4790 Da

Monoisotopic Mass

1338.64559 Da

IUPAC Name

3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Traditional Name

3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

CAS Registry Number

Not Available

SMILES

CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O

InChI Identifier

InChI=1/C63H102O30/c1-24-47(89-52-46(80)48(28(67)22-83-52)90-51-42(76)36(70)27(66)21-82-51)41(75)45(79)53(85-24)92-50-49(91-55-44(78)40(74)38(72)31(20-65)87-55)29(68)23-84-56(50)93-57(81)63-16-15-58(2,3)17-26(63)25-9-10-33-60(6)13-12-35(88-54-43(77)39(73)37(71)30(19-64)86-54)59(4,5)32(60)11-14-61(33,7)62(25,8)18-34(63)69/h9,24,26-56,64-80H,10-23H2,1-8H3

InChI Key

VXYPUHHQOBARSV-UHFFFAOYNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound 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
Fatty acyl glycoside
Glycosyl compound
O-glycosyl compound
Beta-hydroxy acid
Fatty acyl
Hydroxy acid
Oxane
Cyclic alcohol
Carboxylic acid ester
Secondary alcohol
Acetal
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Carboxylic acid derivative
Oxacycle
Polyol
Primary alcohol
Alcohol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organooxygen 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	-2.8	ChemAxon
pKa (Strongest Acidic)	11.61	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	29	ChemAxon
Hydrogen Donor Count	17	ChemAxon
Polar Surface Area	471.74 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	310.21 m³·mol⁻¹	ChemAxon
Polarizability	138.58 Å³	ChemAxon
Number of Rings	11	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester (NP0335587)

MOL for NP0335587 ((3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester)

3D MOL for NP0335587 ((3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester)

3D SDF for NP0335587 ((3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester)

3D-SDF for NP0335587 ((3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester)

PDB for NP0335587 ((3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester)

3D PDB for NP0335587 ((3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester)

SMILES for NP0335587 ((3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester)

INCHI for NP0335587 ((3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester)

Structure for NP0335587 ((3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester)

3D Structure for NP0335587 ((3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester)