NP-MRD: Showing NP-Card for 12beta-hydroxyscillirosidin (NP0031458)

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Record Information

Version

2.0

Created at

2021-06-19 22:32:18 UTC

Updated at

2021-06-30 00:00:03 UTC

NP-MRD ID

NP0031458

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12beta-hydroxyscillirosidin

Provided By

JEOL Database JEOL Logo

Description

12Beta-Hydroxyscillirosidin belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative. 12beta-hydroxyscillirosidin is found in Urginea altissima, Drimia elata, Drimia maritima and Drimia robusta. 12beta-hydroxyscillirosidin was first documented in 2001 (PMID: 11576597). Based on a literature review very few articles have been published on 12beta-Hydroxyscillirosidin (PMID: 15541733).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202100323D          

 68 72  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652306202100323D          

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    0.1406    2.7435   -1.7511 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4356   -2.8804   -1.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0836   -2.1678    0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2784   -3.3836   -0.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700   -3.4526    0.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8191   -5.5799   -0.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -4.8558   -1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2771   -5.4034   -3.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6533   -3.5148   -4.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0031458

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]1([H])C([H])=C2[C@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@]3(O[H])[C@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]4(C([H])([H])[H])[C@@]([H])(C5=C([H])OC(=O)C([H])=C5[H])C([H])([H])C([H])([H])[C@]34O[H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C26H34O8/c1-14(27)34-19-12-25(31)20(23(2)8-6-16(28)10-18(19)23)11-21(29)24(3)17(7-9-26(24,25)32)15-4-5-22(30)33-13-15/h4-5,10,13,16-17,19-21,28-29,31-32H,6-9,11-12H2,1-3H3/t16-,17+,19+,20+,21+,23-,24-,25-,26+/m0/s1

> <INCHI_KEY>
VISZQEIOBOOGPB-XCLWKKTASA-N

> <FORMULA>
C26H34O8

> <MOLECULAR_WEIGHT>
474.55

> <EXACT_MASS>
474.225368055

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
49.6602681797189

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,5S,8R,10S,11R,14S,15S,16R)-5,10,11,16-tetrahydroxy-2,15-dimethyl-14-(2-oxo-2H-pyran-5-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-8-yl acetate

> <ALOGPS_LOGP>
0.98

> <JCHEM_LOGP>
-0.06959355233333342

> <ALOGPS_LOGS>
-3.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.110601285583016

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.988323670599808

> <JCHEM_PKA_STRONGEST_BASIC>
-2.854686497579954

> <JCHEM_POLAR_SURFACE_AREA>
133.52

> <JCHEM_REFRACTIVITY>
122.69769999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.17e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,5S,8R,10S,11R,14S,15S,16R)-5,10,11,16-tetrahydroxy-2,15-dimethyl-14-(6-oxopyran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-8-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 68 72  0  0  0  0  0  0  0  0999 V2000
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    0.6533   -3.5148   -4.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0
 24 23  1  0
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  1 36  1  0
  1 37  1  0
M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0       4.804  -0.632  -4.515  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.407  -1.162  -4.619  0.00  0.00           C+0
HETATM    3  O   UNK     0       3.035  -1.967  -5.458  0.00  0.00           O+0
HETATM    4  O   UNK     0       2.633  -0.611  -3.640  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.262  -1.051  -3.603  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.404   0.085  -3.037  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.706   0.392  -1.553  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.047   0.914  -1.456  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.568  -0.898  -0.696  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.830  -0.579   0.787  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.140   0.489   1.303  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.081   0.689   2.700  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.073   1.839   0.522  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.218   2.599   0.908  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.382   2.667   0.853  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.216   4.144   1.177  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.239   4.532   2.571  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.105   5.814   2.928  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.929   6.871   1.915  0.00  0.00           C+0
HETATM   20  O   UNK     0      -0.806   8.041   2.259  0.00  0.00           O+0
HETATM   21  O   UNK     0      -0.908   6.480   0.605  0.00  0.00           O+0
HETATM   22  C   UNK     0      -1.054   5.123   0.276  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.357   2.405  -0.322  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.708   1.344  -1.204  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.201   1.554  -1.012  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.141   2.744  -1.751  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.371  -2.148  -1.225  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.886  -2.073  -0.922  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.819  -3.421  -0.491  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.219  -4.726  -1.172  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.690  -4.774  -2.600  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.400  -5.769  -3.324  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.829  -3.469  -3.318  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.152  -2.292  -2.741  0.00  0.00           C+0
HETATM   35  H   UNK     0       5.233  -0.906  -3.548  0.00  0.00           H+0
HETATM   36  H   UNK     0       5.418  -1.071  -5.306  0.00  0.00           H+0
HETATM   37  H   UNK     0       4.799   0.454  -4.640  0.00  0.00           H+0
HETATM   38  H   UNK     0       0.907  -1.235  -4.626  0.00  0.00           H+0
HETATM   39  H   UNK     0       0.593   0.984  -3.638  0.00  0.00           H+0
HETATM   40  H   UNK     0      -0.652  -0.186  -3.159  0.00  0.00           H+0
HETATM   41  H   UNK     0       2.580   0.531  -2.180  0.00  0.00           H+0
HETATM   42  H   UNK     0      -0.490  -1.191  -0.767  0.00  0.00           H+0
HETATM   43  H   UNK     0       0.701  -1.474   1.408  0.00  0.00           H+0
HETATM   44  H   UNK     0       1.866  -0.264   0.950  0.00  0.00           H+0
HETATM   45  H   UNK     0      -1.152   0.072   1.231  0.00  0.00           H+0
HETATM   46  H   UNK     0       1.034   0.823   2.844  0.00  0.00           H+0
HETATM   47  H   UNK     0       2.114   1.988   0.768  0.00  0.00           H+0
HETATM   48  H   UNK     0       1.361   3.509   0.318  0.00  0.00           H+0
HETATM   49  H   UNK     0       1.208   2.898   1.962  0.00  0.00           H+0
HETATM   50  H   UNK     0      -1.865   2.211   1.730  0.00  0.00           H+0
HETATM   51  H   UNK     0      -1.359   3.765   3.330  0.00  0.00           H+0
HETATM   52  H   UNK     0      -1.115   6.133   3.961  0.00  0.00           H+0
HETATM   53  H   UNK     0      -1.003   4.997  -0.797  0.00  0.00           H+0
HETATM   54  H   UNK     0      -2.560   3.301  -0.918  0.00  0.00           H+0
HETATM   55  H   UNK     0      -3.329   2.055   0.045  0.00  0.00           H+0
HETATM   56  H   UNK     0      -2.039   0.351  -0.885  0.00  0.00           H+0
HETATM   57  H   UNK     0      -2.025   1.487  -2.243  0.00  0.00           H+0
HETATM   58  H   UNK     0       1.119   2.751  -1.778  0.00  0.00           H+0
HETATM   59  H   UNK     0       3.351  -1.142  -1.245  0.00  0.00           H+0
HETATM   60  H   UNK     0       3.436  -2.880  -1.420  0.00  0.00           H+0
HETATM   61  H   UNK     0       3.084  -2.168   0.152  0.00  0.00           H+0
HETATM   62  H   UNK     0      -0.278  -3.384  -0.443  0.00  0.00           H+0
HETATM   63  H   UNK     0       1.170  -3.453   0.548  0.00  0.00           H+0
HETATM   64  H   UNK     0       0.819  -5.580  -0.611  0.00  0.00           H+0
HETATM   65  H   UNK     0       2.308  -4.856  -1.155  0.00  0.00           H+0
HETATM   66  H   UNK     0      -0.367  -5.061  -2.597  0.00  0.00           H+0
HETATM   67  H   UNK     0       2.277  -5.403  -3.535  0.00  0.00           H+0
HETATM   68  H   UNK     0       0.653  -3.515  -4.393  0.00  0.00           H+0
CONECT    1    2   35   36   37                                             
CONECT    2    4    1    3                                                  
CONECT    3    2                                                            
CONECT    4    5    2                                                       
CONECT    5    6    4   34   38                                             
CONECT    6    5    7   39   40                                             
CONECT    7    6    9   25    8                                             
CONECT    8    7   41                                                       
CONECT    9    7   10   42   27                                             
CONECT   10    9   11   43   44                                             
CONECT   11   13   10   12   45                                             
CONECT   12   11   46                                                       
CONECT   13   15   11   25   14                                             
CONECT   14   13   47   48   49                                             
CONECT   15   23   13   16   50                                             
CONECT   16   15   17   22                                                  
CONECT   17   16   18   51                                                  
CONECT   18   17   19   52                                                  
CONECT   19   18   21   20                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   16   21   53                                                  
CONECT   23   15   24   54   55                                             
CONECT   24   25   23   56   57                                             
CONECT   25   24    7   13   26                                             
CONECT   26   25   58                                                       
CONECT   27   29   34   28    9                                             
CONECT   28   27   59   60   61                                             
CONECT   29   27   30   62   63                                             
CONECT   30   31   29   64   65                                             
CONECT   31   32   30   33   66                                             
CONECT   32   31   67                                                       
CONECT   33   34   31   68                                                  
CONECT   34   33   27    5                                                  
CONECT   35    1                                                            
CONECT   36    1                                                            
CONECT   37    1                                                            
CONECT   38    5                                                            
CONECT   39    6                                                            
CONECT   40    6                                                            
CONECT   41    8                                                            
CONECT   42    9                                                            
CONECT   43   10                                                            
CONECT   44   10                                                            
CONECT   45   11                                                            
CONECT   46   12                                                            
CONECT   47   14                                                            
CONECT   48   14                                                            
CONECT   49   14                                                            
CONECT   50   15                                                            
CONECT   51   17                                                            
CONECT   52   18                                                            
CONECT   53   22                                                            
CONECT   54   23                                                            
CONECT   55   23                                                            
CONECT   56   24                                                            
CONECT   57   24                                                            
CONECT   58   26                                                            
CONECT   59   28                                                            
CONECT   60   28                                                            
CONECT   61   28                                                            
CONECT   62   29                                                            
CONECT   63   29                                                            
CONECT   64   30                                                            
CONECT   65   30                                                            
CONECT   66   31                                                            
CONECT   67   32                                                            
CONECT   68   33                                                            
MASTER        0    0    0    0    0    0    0    0   68    0  144    0
END

RDKit          3D

68 72  0  0  0  0  0  0  0  0999 V2000
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 14 49  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
M  END

View in JSmol

Synonyms

Value	Source
12b-Hydroxyscillirosidin	Generator
12Β-hydroxyscillirosidin	Generator
6beta-Acetoxy-3beta,8beta,12beta,14beta-tetrahydroxybufa-4,20,22-trienolide	MeSH

Chemical Formula

C₂₆H₃₄O₈

Average Mass

474.5500 Da

Monoisotopic Mass

474.22537 Da

IUPAC Name

(1R,2R,5S,8R,10S,11R,14S,15S,16R)-5,10,11,16-tetrahydroxy-2,15-dimethyl-14-(2-oxo-2H-pyran-5-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-8-yl acetate

Traditional Name

(1R,2R,5S,8R,10S,11R,14S,15S,16R)-5,10,11,16-tetrahydroxy-2,15-dimethyl-14-(6-oxopyran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-8-yl acetate

CAS Registry Number

Not Available

SMILES

[H]O[C@]1([H])C([H])=C2[C@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@]3(O[H])[C@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]4(C([H])([H])[H])[C@@]([H])(C5=C([H])OC(=O)C([H])=C5[H])C([H])([H])C([H])([H])[C@]34O[H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]

InChI Identifier

InChI=1S/C26H34O8/c1-14(27)34-19-12-25(31)20(23(2)8-6-16(28)10-18(19)23)11-21(29)24(3)17(7-9-26(24,25)32)15-4-5-22(30)33-13-15/h4-5,10,13,16-17,19-21,28-29,31-32H,6-9,11-12H2,1-3H3/t16-,17+,19+,20+,21+,23-,24-,25-,26+/m0/s1

InChI Key

VISZQEIOBOOGPB-XCLWKKTASA-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
Drimia altissima	Plant	KNApSAcK
Drimia elata	LOTUS Database	35616633
Drimia maritima	LOTUS Database	35616633
Drimia robusta	JEOL database	Pohl, T., et al, Phytochemistry 58, 557 (2001)

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroid lactones

Direct Parent

Bufanolides and derivatives

Alternative Parents

Substituents

Bufanolide-skeleton
Steroid ester
3-hydroxy-delta-4-steroid
3-hydroxysteroid
3-beta-hydroxysteroid
12-hydroxysteroid
14-hydroxysteroid
Hydroxysteroid
Delta-4-steroid
Pyranone
Pyran
Heteroaromatic compound
Cyclic alcohol
Tertiary alcohol
Carboxylic acid ester
Secondary alcohol
Lactone
Polyol
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	0.98	ALOGPS
logP	-0.07	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	12.99	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	133.52 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	122.7 m³·mol⁻¹	ChemAxon
Polarizability	49.66 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

553010

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

637392

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Koorbanally NA, Koorbanally C, Harilal A, Mulholland DA, Crouch NR: Bufadienolides from Drimia robusta and Urginea epigea (Hyacinthaceae). Phytochemistry. 2004 Dec;65(23):3069-73. doi: 10.1016/j.phytochem.2004.08.051. [PubMed:15541733 ]
Pohl T, Koorbanally C, Crouch NR, Mulholland DA: Bufadienolides from Drimia robusta and Urginea altissima (Hyacinthaceae). Phytochemistry. 2001 Oct;58(4):557-61. doi: 10.1016/s0031-9422(01)00225-4. [PubMed:11576597 ]
Pohl, T., et al. (2001). Pohl, T., et al, Phytochemistry 58, 557 (2001) . Phytochem..

Showing NP-Card for 12beta-hydroxyscillirosidin (NP0031458)

MOL for NP0031458 (12beta-hydroxyscillirosidin)

3D MOL for NP0031458 (12beta-hydroxyscillirosidin)

3D SDF for NP0031458 (12beta-hydroxyscillirosidin)

3D-SDF for NP0031458 (12beta-hydroxyscillirosidin)

PDB for NP0031458 (12beta-hydroxyscillirosidin)

3D PDB for NP0031458 (12beta-hydroxyscillirosidin)

SMILES for NP0031458 (12beta-hydroxyscillirosidin)

INCHI for NP0031458 (12beta-hydroxyscillirosidin)

Structure for NP0031458 (12beta-hydroxyscillirosidin)

3D Structure for NP0031458 (12beta-hydroxyscillirosidin)