NP-MRD: Showing NP-Card for (3R)-7,4'-di-O-glucosyldiphysolone (NP0041347)

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Record Information

Version

2.0

Created at

2021-06-20 23:16:56 UTC

Updated at

2021-06-30 00:15:48 UTC

NP-MRD ID

NP0041347

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3R)-7,4'-di-O-glucosyldiphysolone

Provided By

JEOL Database JEOL Logo

Description

(3R)-7,4'-di-O-glucosyldiphysolone is found in Ormocarpum kirkii. (3R)-7,4'-di-O-glucosyldiphysolone was first documented in 2012 (Xu, Y.-J., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306212101163D          

 88 92  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652306212101163D          

 88 92  0  0  0  0            999 V2000
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    0.7065   -4.3294    0.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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  6  5  1  0  0  0  0
 27 28  1  0  0  0  0
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  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
 35 36  1  0  0  0  0
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  3 54  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0041347

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C(O[C@@]2([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])=C([H])C([H])=C1[C@]1([H])C(=O)C2=C(O[H])C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2OC1([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C32H40O16/c1-12(2)3-5-15-18(46-32-30(43)28(41)26(39)21(10-34)48-32)8-19-22(23(15)36)24(37)16(11-44-19)14-6-4-13(7-17(14)35)45-31-29(42)27(40)25(38)20(9-33)47-31/h3-4,6-8,16,20-21,25-36,38-43H,5,9-11H2,1-2H3/t16-,20+,21-,25+,26-,27-,28+,29+,30-,31+,32-/m1/s1

> <INCHI_KEY>
PXPWPOIZRSNPQI-TYBYGKDNSA-N

> <FORMULA>
C32H40O16

> <MOLECULAR_WEIGHT>
680.656

> <EXACT_MASS>
680.231635208

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
68.5997087492695

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S)-5-hydroxy-3-(2-hydroxy-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
-0.25

> <JCHEM_LOGP>
-0.383476395

> <ALOGPS_LOGS>
-2.79

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.22185019179945

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.35870576295889

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6483953478923867

> <JCHEM_POLAR_SURFACE_AREA>
265.52

> <JCHEM_REFRACTIVITY>
162.189

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.11e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S)-5-hydroxy-3-(2-hydroxy-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 88 92  0  0  0  0  0  0  0  0999 V2000
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M  END

HEADER    PROTEIN                                 21-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JUN-21         0                                  
HETATM    1  C   UNK     0      -0.194  -6.214   2.234  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.042  -5.440   0.953  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.798  -6.024  -0.213  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.707  -4.329   0.795  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.528  -3.604   1.831  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.318  -2.100   1.796  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.207  -1.513   2.439  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.652  -2.378   3.063  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.972  -1.910   3.379  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.966  -1.197   4.619  0.00  0.00           O+0
HETATM   11  C   UNK     0      -3.272  -0.748   5.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.159   0.105   6.271  0.00  0.00           C+0
HETATM   13  O   UNK     0      -4.386   0.752   6.590  0.00  0.00           O+0
HETATM   14  C   UNK     0      -4.199  -1.953   5.224  0.00  0.00           C+0
HETATM   15  O   UNK     0      -5.520  -1.534   5.587  0.00  0.00           O+0
HETATM   16  C   UNK     0      -4.260  -2.785   3.943  0.00  0.00           C+0
HETATM   17  O   UNK     0      -5.047  -3.961   4.188  0.00  0.00           O+0
HETATM   18  C   UNK     0      -2.857  -3.170   3.480  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.975  -3.843   2.216  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.049  -0.123   2.431  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.967   0.689   1.766  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.037   0.121   1.081  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.214  -1.269   1.097  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.251  -1.868   0.425  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.933   1.010   0.308  0.00  0.00           C+0
HETATM   26  O   UNK     0       3.847   0.512  -0.350  0.00  0.00           O+0
HETATM   27  C   UNK     0       2.641   2.493   0.330  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.919   3.017  -0.903  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.121   2.201  -1.718  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.460   2.722  -2.839  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.583   4.069  -3.167  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.004   4.699  -4.230  0.00  0.00           O+0
HETATM   33  C   UNK     0      -0.678   3.887  -5.203  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.924   3.397  -4.699  0.00  0.00           O+0
HETATM   35  C   UNK     0      -2.625   2.597  -5.658  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.880   2.007  -5.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -4.507   1.035  -5.829  0.00  0.00           O+0
HETATM   38  C   UNK     0      -2.992   3.447  -6.886  0.00  0.00           C+0
HETATM   39  O   UNK     0      -3.669   2.665  -7.875  0.00  0.00           O+0
HETATM   40  C   UNK     0      -1.718   4.043  -7.486  0.00  0.00           C+0
HETATM   41  O   UNK     0      -2.079   4.921  -8.563  0.00  0.00           O+0
HETATM   42  C   UNK     0      -0.924   4.800  -6.423  0.00  0.00           C+0
HETATM   43  O   UNK     0       0.305   5.252  -7.014  0.00  0.00           O+0
HETATM   44  C   UNK     0       1.359   4.898  -2.355  0.00  0.00           C+0
HETATM   45  C   UNK     0       2.014   4.374  -1.239  0.00  0.00           C+0
HETATM   46  O   UNK     0       2.764   5.195  -0.442  0.00  0.00           O+0
HETATM   47  C   UNK     0       1.905   2.820   1.628  0.00  0.00           C+0
HETATM   48  O   UNK     0       0.719   2.035   1.802  0.00  0.00           O+0
HETATM   49  H   UNK     0       0.137  -7.248   2.087  0.00  0.00           H+0
HETATM   50  H   UNK     0      -1.244  -6.231   2.542  0.00  0.00           H+0
HETATM   51  H   UNK     0       0.386  -5.806   3.064  0.00  0.00           H+0
HETATM   52  H   UNK     0      -0.454  -7.044  -0.415  0.00  0.00           H+0
HETATM   53  H   UNK     0      -0.666  -5.440  -1.130  0.00  0.00           H+0
HETATM   54  H   UNK     0      -1.870  -6.055   0.009  0.00  0.00           H+0
HETATM   55  H   UNK     0       0.765  -3.885  -0.199  0.00  0.00           H+0
HETATM   56  H   UNK     0       2.584  -3.842   1.660  0.00  0.00           H+0
HETATM   57  H   UNK     0       1.327  -3.955   2.848  0.00  0.00           H+0
HETATM   58  H   UNK     0      -2.350  -1.276   2.565  0.00  0.00           H+0
HETATM   59  H   UNK     0      -3.684  -0.108   4.208  0.00  0.00           H+0
HETATM   60  H   UNK     0      -2.848  -0.504   7.127  0.00  0.00           H+0
HETATM   61  H   UNK     0      -2.393   0.878   6.140  0.00  0.00           H+0
HETATM   62  H   UNK     0      -5.098   0.085   6.478  0.00  0.00           H+0
HETATM   63  H   UNK     0      -3.823  -2.577   6.044  0.00  0.00           H+0
HETATM   64  H   UNK     0      -6.072  -2.341   5.500  0.00  0.00           H+0
HETATM   65  H   UNK     0      -4.790  -2.235   3.156  0.00  0.00           H+0
HETATM   66  H   UNK     0      -4.918  -4.523   3.397  0.00  0.00           H+0
HETATM   67  H   UNK     0      -2.418  -3.893   4.178  0.00  0.00           H+0
HETATM   68  H   UNK     0      -2.062  -3.965   1.886  0.00  0.00           H+0
HETATM   69  H   UNK     0      -0.768   0.362   2.957  0.00  0.00           H+0
HETATM   70  H   UNK     0       3.768  -1.173  -0.042  0.00  0.00           H+0
HETATM   71  H   UNK     0       3.627   2.976   0.380  0.00  0.00           H+0
HETATM   72  H   UNK     0       0.989   1.143  -1.503  0.00  0.00           H+0
HETATM   73  H   UNK     0      -0.155   2.042  -3.421  0.00  0.00           H+0
HETATM   74  H   UNK     0      -0.021   3.057  -5.502  0.00  0.00           H+0
HETATM   75  H   UNK     0      -1.989   1.757  -5.969  0.00  0.00           H+0
HETATM   76  H   UNK     0      -4.607   2.793  -4.764  0.00  0.00           H+0
HETATM   77  H   UNK     0      -3.618   1.525  -4.052  0.00  0.00           H+0
HETATM   78  H   UNK     0      -4.532   1.407  -6.737  0.00  0.00           H+0
HETATM   79  H   UNK     0      -3.671   4.259  -6.598  0.00  0.00           H+0
HETATM   80  H   UNK     0      -3.677   3.228  -8.679  0.00  0.00           H+0
HETATM   81  H   UNK     0      -1.104   3.256  -7.939  0.00  0.00           H+0
HETATM   82  H   UNK     0      -1.252   5.391  -8.798  0.00  0.00           H+0
HETATM   83  H   UNK     0      -1.472   5.702  -6.121  0.00  0.00           H+0
HETATM   84  H   UNK     0       0.826   5.646  -6.287  0.00  0.00           H+0
HETATM   85  H   UNK     0       1.440   5.952  -2.602  0.00  0.00           H+0
HETATM   86  H   UNK     0       2.746   6.094  -0.812  0.00  0.00           H+0
HETATM   87  H   UNK     0       1.601   3.872   1.662  0.00  0.00           H+0
HETATM   88  H   UNK     0       2.557   2.656   2.497  0.00  0.00           H+0
CONECT    1    2   49   50   51                                             
CONECT    2    4    1    3                                                  
CONECT    3    2   52   53   54                                             
CONECT    4    5    2   55                                                  
CONECT    5    6    4   56   57                                             
CONECT    6    7   23    5                                                  
CONECT    7   20    6    8                                                  
CONECT    8    7    9                                                       
CONECT    9   18   10    8   58                                             
CONECT   10   11    9                                                       
CONECT   11   14   10   12   59                                             
CONECT   12   13   11   60   61                                             
CONECT   13   12   62                                                       
CONECT   14   16   11   15   63                                             
CONECT   15   14   64                                                       
CONECT   16   18   14   17   65                                             
CONECT   17   16   66                                                       
CONECT   18    9   16   19   67                                             
CONECT   19   18   68                                                       
CONECT   20   21    7   69                                                  
CONECT   21   48   22   20                                                  
CONECT   22   25   21   23                                                  
CONECT   23    6   22   24                                                  
CONECT   24   23   70                                                       
CONECT   25   22   27   26                                                  
CONECT   26   25                                                            
CONECT   27   25   47   28   71                                             
CONECT   28   29   45   27                                                  
CONECT   29   28   30   72                                                  
CONECT   30   29   31   73                                                  
CONECT   31   30   44   32                                                  
CONECT   32   31   33                                                       
CONECT   33   42   34   32   74                                             
CONECT   34   35   33                                                       
CONECT   35   38   34   36   75                                             
CONECT   36   37   35   76   77                                             
CONECT   37   36   78                                                       
CONECT   38   40   35   39   79                                             
CONECT   39   38   80                                                       
CONECT   40   42   38   41   81                                             
CONECT   41   40   82                                                       
CONECT   42   33   40   43   83                                             
CONECT   43   42   84                                                       
CONECT   44   31   45   85                                                  
CONECT   45   44   28   46                                                  
CONECT   46   45   86                                                       
CONECT   47   27   48   87   88                                             
CONECT   48   21   47                                                       
CONECT   49    1                                                            
CONECT   50    1                                                            
CONECT   51    1                                                            
CONECT   52    3                                                            
CONECT   53    3                                                            
CONECT   54    3                                                            
CONECT   55    4                                                            
CONECT   56    5                                                            
CONECT   57    5                                                            
CONECT   58    9                                                            
CONECT   59   11                                                            
CONECT   60   12                                                            
CONECT   61   12                                                            
CONECT   62   13                                                            
CONECT   63   14                                                            
CONECT   64   15                                                            
CONECT   65   16                                                            
CONECT   66   17                                                            
CONECT   67   18                                                            
CONECT   68   19                                                            
CONECT   69   20                                                            
CONECT   70   24                                                            
CONECT   71   27                                                            
CONECT   72   29                                                            
CONECT   73   30                                                            
CONECT   74   33                                                            
CONECT   75   35                                                            
CONECT   76   36                                                            
CONECT   77   36                                                            
CONECT   78   37                                                            
CONECT   79   38                                                            
CONECT   80   39                                                            
CONECT   81   40                                                            
CONECT   82   41                                                            
CONECT   83   42                                                            
CONECT   84   43                                                            
CONECT   85   44                                                            
CONECT   86   46                                                            
CONECT   87   47                                                            
CONECT   88   47                                                            
MASTER        0    0    0    0    0    0    0    0   88    0  184    0
END

RDKit          3D

88 92  0  0  0  0  0  0  0  0999 V2000
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M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₀O₁₆

Average Mass

680.6560 Da

Monoisotopic Mass

680.23164 Da

IUPAC Name

(3S)-5-hydroxy-3-(2-hydroxy-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

CAS Registry Number

Not Available

SMILES

[H]OC1=C([H])C(O[C@@]2([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])=C([H])C([H])=C1[C@]1([H])C(=O)C2=C(O[H])C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2OC1([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C32H40O16/c1-12(2)3-5-15-18(46-32-30(43)28(41)26(39)21(10-34)48-32)8-19-22(23(15)36)24(37)16(11-44-19)14-6-4-13(7-17(14)35)45-31-29(42)27(40)25(38)20(9-33)47-31/h3-4,6-8,16,20-21,25-36,38-43H,5,9-11H2,1-2H3/t16-,20+,21-,25+,26-,27-,28+,29+,30-,31+,32-/m1/s1

InChI Key

PXPWPOIZRSNPQI-TYBYGKDNSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Ormocarpum kirkii	JEOL database	Xu, Y.-J., et al, Phytochem. 79, 121 (2012)

Chemical Taxonomy

Classification

Not classified

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	-0.25	ALOGPS
logP	-0.38	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	8.36	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	265.52 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	162.19 m³·mol⁻¹	ChemAxon
Polarizability	68.6 Å³	ChemAxon
Number of Rings	5	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

Not Available

References

General References

Xu, Y.-J., et al. (2012). Xu, Y.-J., et al, Phytochem. 79, 121 (2012). Phytochem..

Showing NP-Card for (3R)-7,4'-di-O-glucosyldiphysolone (NP0041347)

MOL for NP0041347 ((3R)-7,4'-di-O-glucosyldiphysolone)

3D MOL for NP0041347 ((3R)-7,4'-di-O-glucosyldiphysolone)

3D SDF for NP0041347 ((3R)-7,4'-di-O-glucosyldiphysolone)

3D-SDF for NP0041347 ((3R)-7,4'-di-O-glucosyldiphysolone)

PDB for NP0041347 ((3R)-7,4'-di-O-glucosyldiphysolone)

3D PDB for NP0041347 ((3R)-7,4'-di-O-glucosyldiphysolone)

SMILES for NP0041347 ((3R)-7,4'-di-O-glucosyldiphysolone)

INCHI for NP0041347 ((3R)-7,4'-di-O-glucosyldiphysolone)

Structure for NP0041347 ((3R)-7,4'-di-O-glucosyldiphysolone)

3D Structure for NP0041347 ((3R)-7,4'-di-O-glucosyldiphysolone)