NP-MRD: Showing NP-Card for (-)-Linckoside F (NP0071441)

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Record Information

Version

2.0

Created at

2022-04-28 16:49:23 UTC

Updated at

2022-04-28 16:49:24 UTC

NP-MRD ID

NP0071441

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Linckoside F

Description

Linkckoside f belongs to the class of organic compounds known as ergostane steroids. These are steroids with a structure based on the ergostane skeleton, which arises from the methylation of cholestane at the 24-position. Thus, linkckoside F is considered to be a steroid conjugate. (-)-Linckoside F is found in Hippasteria phrygiana and Linckia laevigata. Based on a literature review very few articles have been published on Linkckoside f.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282218492D          

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M  END

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M  END


  Mrv1652304282218492D          

 44 48  0  0  1  0            999 V2000
   -4.8254    1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3774    2.2490    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1225    3.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3155    3.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7635    2.5920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0184    1.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9565    2.7636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7016    3.5482    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2536    4.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0606    3.9898    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6126    4.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8946    3.7197    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3426    3.1066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5975    2.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4045    2.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889    3.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6751    4.2627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4821    4.4342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8177    5.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0620    4.8147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1256    3.0297    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1256    2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400    3.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5545    3.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835    3.0297    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6979    3.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4124    3.0297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835    2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7295    2.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4466    4.3328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2115    1.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1844    2.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7364    2.6906    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.5434    2.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0954    3.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8405    3.9168    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0335    4.0883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4815    3.4752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6745    3.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4196    4.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7786    4.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3925    4.5298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  6  0  0  0
  8 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  7 15  1  6  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  1  0  0  0
 17 20  1  6  0  0  0
 16 21  1  6  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  1  0  0  0
 13 31  1  6  0  0  0
  8 32  1  6  0  0  0
  5 33  1  6  0  0  0
  2 34  1  6  0  0  0
 35 34  1  6  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
 35 40  1  0  0  0  0
 40 41  1  1  0  0  0
 41 42  1  0  0  0  0
 39 43  1  6  0  0  0
 38 44  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0071441

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H]([C@H](C)CCC(=C)[C@H](C)CO)[C@@H](O)[C@H](O)[C@H]5[C@]4(O)C[C@@H](O)C3=C2)OC[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C34H56O10/c1-17(19(3)15-35)7-8-18(2)25-27(39)28(40)30-33(25,5)12-10-24-32(4)11-9-20(13-21(32)22(36)14-34(24,30)41)44-31-29(42-6)26(38)23(37)16-43-31/h13,18-20,22-31,35-41H,1,7-12,14-16H2,2-6H3/t18-,19-,20+,22-,23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+/m1/s1

> <INCHI_KEY>
HIIKKCBWJRFJBP-HYMVMEEQSA-N

> <FORMULA>
C34H56O10

> <MOLECULAR_WEIGHT>
624.812

> <EXACT_MASS>
624.387348003

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
100

> <JCHEM_AVERAGE_POLARIZABILITY>
70.24522858377813

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,5S,8R,10S,11S,12R,13R,14R,15R)-5-{[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy}-14-[(2R,6S)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-8,10,12,13-tetrol

> <ALOGPS_LOGP>
0.57

> <JCHEM_LOGP>
0.5470541743333321

> <ALOGPS_LOGS>
-3.51

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.458507244093358

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.733853916086744

> <JCHEM_PKA_STRONGEST_BASIC>
-1.6519033952753812

> <JCHEM_POLAR_SURFACE_AREA>
169.29999999999998

> <JCHEM_REFRACTIVITY>
163.6975

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.92e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,5S,8R,10S,11S,12R,13R,14R,15R)-5-{[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy}-14-[(2R,6S)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-8,10,12,13-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      -9.007   3.054   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -10.038   4.198   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.562   5.663   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.056   5.983   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.025   4.838   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.501   3.374   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.519   5.159   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.043   6.623   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.073   7.768   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.580   7.448   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -8.610   8.592   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -3.537   6.943   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.506   5.799   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.982   4.334   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.488   4.014   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.099   6.425   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.260   7.957   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.767   8.277   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -3.393   9.684   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -0.116   8.987   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.234   5.655   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.234   4.115   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.568   6.425   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.902   5.655   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.235   6.425   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.235   7.965   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.569   5.655   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.903   6.425   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       8.236   5.655   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       5.569   4.115   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.362   4.769   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -4.567   8.088   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -5.995   3.694   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0     -11.544   3.878   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0     -12.575   5.022   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0     -14.081   4.702   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0     -15.112   5.847   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -14.636   7.311   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -13.129   7.631   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0     -12.099   6.487   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0     -10.592   6.807   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0     -10.117   8.272   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0     -12.653   9.096   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0     -15.666   8.456   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   34                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7   33                                             
CONECT    6    5    1                                                       
CONECT    7    5    8   15                                                  
CONECT    8    7    9   12   32                                             
CONECT    9    8   10                                                       
CONECT   10    9    4   11                                                  
CONECT   11   10                                                            
CONECT   12    8   13   18                                                  
CONECT   13   12   14   16   31                                             
CONECT   14   13   15                                                       
CONECT   15   14    7                                                       
CONECT   16   13   17   21                                                  
CONECT   17   16   18   20                                                  
CONECT   18   17   12   19                                                  
CONECT   19   18                                                            
CONECT   20   17                                                            
CONECT   21   16   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27                                                            
CONECT   31   13                                                            
CONECT   32    8                                                            
CONECT   33    5                                                            
CONECT   34    2   35                                                       
CONECT   35   34   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   44                                                  
CONECT   39   38   40   43                                                  
CONECT   40   39   35   41                                                  
CONECT   41   40   42                                                       
CONECT   42   41                                                            
CONECT   43   39                                                            
CONECT   44   38                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₅₆O₁₀

Average Mass

624.8120 Da

Monoisotopic Mass

624.38735 Da

IUPAC Name

(1R,2R,5S,8R,10S,11S,12R,13R,14R,15R)-5-{[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy}-14-[(2R,6S)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-8,10,12,13-tetrol

Traditional Name

CAS Registry Number

Not Available

SMILES

CO[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H]([C@H](C)CCC(=C)[C@H](C)CO)[C@@H](O)[C@H](O)[C@H]5[C@]4(O)C[C@@H](O)C3=C2)OC[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C34H56O10/c1-17(19(3)15-35)7-8-18(2)25-27(39)28(40)30-33(25,5)12-10-24-32(4)11-9-20(13-21(32)22(36)14-34(24,30)41)44-31-29(42-6)26(38)23(37)16-43-31/h13,18-20,22-31,35-41H,1,7-12,14-16H2,2-6H3/t18-,19-,20+,22-,23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+/m1/s1

InChI Key

HIIKKCBWJRFJBP-HYMVMEEQSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Hippasteria phrygiana	LOTUS Database	35616633
Linckia laevigata	Animalia	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ergostane steroids. These are steroids with a structure based on the ergostane skeleton, which arises from the methylation of cholestane at the 24-position.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Ergostane steroids

Direct Parent

Ergostane steroids

Alternative Parents

Substituents

Ergostane-skeleton
Tetrahydroxy bile acid, alcohol, or derivatives
26-hydroxysteroid
Steroidal glycoside
Hydroxy bile acid, alcohol, or derivatives
Bile acid, alcohol, or derivatives
6-hydroxysteroid
15-hydroxysteroid
16-hydroxysteroid
16-beta-hydroxysteroid
Hydroxysteroid
Delta-4-steroid
Glycosyl compound
O-glycosyl compound
Fatty alcohol
Oxane
Fatty acyl
Monosaccharide
Cyclic alcohol
Tertiary alcohol
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Ether
Dialkyl ether
Polyol
Alcohol
Organooxygen compound
Hydrocarbon derivative
Primary alcohol
Organic oxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	0.57	ALOGPS
logP	0.55	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	12.73	ChemAxon
pKa (Strongest Basic)	-1.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	169.3 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	163.7 m³·mol⁻¹	ChemAxon
Polarizability	70.25 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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

113385610

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163048615

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (-)-Linckoside F (NP0071441)

MOL for NP0071441 ((-)-Linckoside F)

3D MOL for NP0071441 ((-)-Linckoside F)

3D SDF for NP0071441 ((-)-Linckoside F)

3D-SDF for NP0071441 ((-)-Linckoside F)

PDB for NP0071441 ((-)-Linckoside F)

3D PDB for NP0071441 ((-)-Linckoside F)

SMILES for NP0071441 ((-)-Linckoside F)

INCHI for NP0071441 ((-)-Linckoside F)

Structure for NP0071441 ((-)-Linckoside F)

3D Structure for NP0071441 ((-)-Linckoside F)