NP-MRD: Showing NP-Card for syphonosideol (NP0037319)

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Record Information

Version

1.0

Created at

2021-06-20 20:16:13 UTC

Updated at

2021-06-30 00:09:27 UTC

NP-MRD ID

NP0037319

Secondary Accession Numbers

None

Natural Product Identification

Common Name

syphonosideol

Provided By

JEOL Database JEOL Logo

Description

syphonosideol is found in Syphonota geographica. It was first documented in 2008 (Carbone, M., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202122163D          

 92 95  0  0  0  0            999 V2000
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    0.8813   -4.8785   -1.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5938   -4.4541   -3.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460   -3.1469   -3.6202 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.4380   -0.8550   -3.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7411   -0.5542   -3.5310 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0562    0.7348   -4.5446 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5325   -0.3809   -5.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2438    1.4983   -4.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652306202122163D          

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M  END
> <DATABASE_ID>
NP0037319

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]1([H])[C@]2([H])O[C@]([H])(C([H])([H])OC(=O)C([H])([H])[C@](O[H])(C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])\C([H])=C(C([H])([H])[H])/C([H])([H])[C@@]([H])(O[H])[C@@]3(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4(C(=C([H])C([H])([H])C([H])([H])[C@]34[H])C(=O)O2)C([H])([H])[H])[C@]([H])(O[H])[C@]1([H])O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C32H48O12/c1-17-10-12-41-23(34)14-30(3,40)15-24(35)42-16-20-25(36)26(37)27(38)29(43-20)44-28(39)19-7-6-8-21-31(19,4)11-9-18(2)32(21,5)22(33)13-17/h7,10,18,20-22,25-27,29,33,36-38,40H,6,8-9,11-16H2,1-5H3/b17-10-/t18-,20-,21+,22-,25+,26+,27+,29-,30+,31+,32+/m1/s1

> <INCHI_KEY>
BKGDPZULOBLOGK-GRSUMMTBSA-N

> <FORMULA>
C32H48O12

> <MOLECULAR_WEIGHT>
624.724

> <EXACT_MASS>
624.314576986

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
64.77924807718784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,8S,9R,12R,13S,14R,16Z,22S,27R,28R,29S,30S)-14,22,28,29,30-pentahydroxy-9,12,13,16,22-pentamethyl-2,19,25,31-tetraoxatetracyclo[25.3.1.0^{4,9}.0^{8,13}]hentriaconta-4,16-diene-3,20,24-trione

> <ALOGPS_LOGP>
1.70

> <JCHEM_LOGP>
1.608224556333331

> <ALOGPS_LOGS>
-3.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.190360948945258

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.19521537489339

> <JCHEM_PKA_STRONGEST_BASIC>
-0.18097810203970288

> <JCHEM_POLAR_SURFACE_AREA>
189.27999999999997

> <JCHEM_REFRACTIVITY>
155.94350000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.74e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,8S,9R,12R,13S,14R,16Z,22S,27R,28R,29S,30S)-14,22,28,29,30-pentahydroxy-9,12,13,16,22-pentamethyl-2,19,25,31-tetraoxatetracyclo[25.3.1.0^{4,9}.0^{8,13}]hentriaconta-4,16-diene-3,20,24-trione

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

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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       1.508  -6.228  -1.753  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.881  -4.878  -1.987  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.594  -4.454  -3.237  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.046  -3.147  -3.620  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.936  -2.119  -3.462  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.438  -0.855  -3.404  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.741  -0.554  -3.531  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.543   0.154  -3.220  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.056   0.735  -4.545  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.533  -0.381  -5.490  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.244   1.498  -4.272  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.034   1.609  -5.293  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.498   2.815  -4.554  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.655   3.216  -4.650  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.482   3.472  -3.880  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.152   4.816  -3.464  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.320   4.838  -2.175  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.168   4.485  -1.071  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.436   4.252   0.150  0.00  0.00           C+0
HETATM   20  O   UNK     0       0.158   2.851   0.242  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.183   2.330   1.493  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.504   2.898   2.523  0.00  0.00           O+0
HETATM   23  C   UNK     0      -0.189   0.896   1.408  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.331   0.591   0.756  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.811  -0.812   0.537  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.914  -1.887   1.162  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.580  -1.458   1.117  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.651  -2.629   1.286  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.205  -3.644   2.361  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.091  -2.045   1.639  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.096  -3.088   2.159  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.086  -0.858   2.599  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.194   0.256   2.074  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.717  -0.173   2.032  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.215  -0.363   3.487  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.839  -3.410  -0.101  0.00  0.00           C+0
HETATM   37  O   UNK     0       2.390  -2.486  -1.055  0.00  0.00           O+0
HETATM   38  C   UNK     0       0.590  -4.061  -0.733  0.00  0.00           C+0
HETATM   39  C   UNK     0      -0.912   5.022   0.218  0.00  0.00           C+0
HETATM   40  O   UNK     0      -1.369   5.193   1.564  0.00  0.00           O+0
HETATM   41  C   UNK     0      -0.773   6.384  -0.456  0.00  0.00           C+0
HETATM   42  O   UNK     0       0.127   7.191   0.330  0.00  0.00           O+0
HETATM   43  C   UNK     0      -0.257   6.244  -1.902  0.00  0.00           C+0
HETATM   44  O   UNK     0       0.733   7.262  -2.125  0.00  0.00           O+0
HETATM   45  H   UNK     0       1.636  -6.790  -2.685  0.00  0.00           H+0
HETATM   46  H   UNK     0       0.879  -6.829  -1.089  0.00  0.00           H+0
HETATM   47  H   UNK     0       2.496  -6.121  -1.296  0.00  0.00           H+0
HETATM   48  H   UNK     0       0.836  -5.098  -4.081  0.00  0.00           H+0
HETATM   49  H   UNK     0      -0.941  -2.961  -3.015  0.00  0.00           H+0
HETATM   50  H   UNK     0      -0.346  -3.186  -4.673  0.00  0.00           H+0
HETATM   51  H   UNK     0       2.367  -0.311  -2.664  0.00  0.00           H+0
HETATM   52  H   UNK     0       1.180   0.943  -2.550  0.00  0.00           H+0
HETATM   53  H   UNK     0       3.262  -1.030  -4.992  0.00  0.00           H+0
HETATM   54  H   UNK     0       1.706  -0.999  -5.854  0.00  0.00           H+0
HETATM   55  H   UNK     0       3.045   0.042  -6.363  0.00  0.00           H+0
HETATM   56  H   UNK     0       2.993   2.273  -3.731  0.00  0.00           H+0
HETATM   57  H   UNK     0       1.488   2.007  -6.210  0.00  0.00           H+0
HETATM   58  H   UNK     0       0.172   1.001  -5.593  0.00  0.00           H+0
HETATM   59  H   UNK     0       2.113   5.318  -3.308  0.00  0.00           H+0
HETATM   60  H   UNK     0       0.639   5.333  -4.284  0.00  0.00           H+0
HETATM   61  H   UNK     0      -0.482   4.093  -2.241  0.00  0.00           H+0
HETATM   62  H   UNK     0       1.103   4.566   0.960  0.00  0.00           H+0
HETATM   63  H   UNK     0      -1.953   1.376   0.331  0.00  0.00           H+0
HETATM   64  H   UNK     0      -1.861  -0.981  -0.546  0.00  0.00           H+0
HETATM   65  H   UNK     0      -2.831  -0.918   0.923  0.00  0.00           H+0
HETATM   66  H   UNK     0      -1.117  -2.828   0.655  0.00  0.00           H+0
HETATM   67  H   UNK     0      -1.231  -2.070   2.194  0.00  0.00           H+0
HETATM   68  H   UNK     0       0.759  -1.093   0.093  0.00  0.00           H+0
HETATM   69  H   UNK     0       1.844  -4.534   2.358  0.00  0.00           H+0
HETATM   70  H   UNK     0       1.250  -3.218   3.365  0.00  0.00           H+0
HETATM   71  H   UNK     0       0.186  -4.008   2.201  0.00  0.00           H+0
HETATM   72  H   UNK     0       3.535  -1.647   0.717  0.00  0.00           H+0
HETATM   73  H   UNK     0       3.819  -3.458   3.151  0.00  0.00           H+0
HETATM   74  H   UNK     0       4.189  -3.942   1.484  0.00  0.00           H+0
HETATM   75  H   UNK     0       5.094  -2.643   2.248  0.00  0.00           H+0
HETATM   76  H   UNK     0       4.106  -0.463   2.693  0.00  0.00           H+0
HETATM   77  H   UNK     0       2.793  -1.170   3.607  0.00  0.00           H+0
HETATM   78  H   UNK     0       2.333   1.128   2.724  0.00  0.00           H+0
HETATM   79  H   UNK     0       2.532   0.560   1.075  0.00  0.00           H+0
HETATM   80  H   UNK     0      -0.877  -0.427   3.554  0.00  0.00           H+0
HETATM   81  H   UNK     0       0.618  -1.262   3.955  0.00  0.00           H+0
HETATM   82  H   UNK     0       0.507   0.487   4.115  0.00  0.00           H+0
HETATM   83  H   UNK     0       2.593  -4.191   0.043  0.00  0.00           H+0
HETATM   84  H   UNK     0       2.440  -2.939  -1.917  0.00  0.00           H+0
HETATM   85  H   UNK     0      -0.108  -3.270  -1.014  0.00  0.00           H+0
HETATM   86  H   UNK     0       0.081  -4.709  -0.012  0.00  0.00           H+0
HETATM   87  H   UNK     0      -1.692   4.442  -0.291  0.00  0.00           H+0
HETATM   88  H   UNK     0      -0.741   5.813   1.986  0.00  0.00           H+0
HETATM   89  H   UNK     0      -1.735   6.908  -0.444  0.00  0.00           H+0
HETATM   90  H   UNK     0       0.195   8.042  -0.149  0.00  0.00           H+0
HETATM   91  H   UNK     0      -1.074   6.426  -2.609  0.00  0.00           H+0
HETATM   92  H   UNK     0       1.477   7.043  -1.527  0.00  0.00           H+0
CONECT    1    2   45   46   47                                             
CONECT    2    3    1   38                                                  
CONECT    3    2    4   48                                                  
CONECT    4    3    5   49   50                                             
CONECT    5    6    4                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   51   52                                             
CONECT    9    8   12   10   11                                             
CONECT   10    9   53   54   55                                             
CONECT   11    9   56                                                       
CONECT   12    9   13   57   58                                             
CONECT   13   12   15   14                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   17   15   59   60                                             
CONECT   17   16   43   18   61                                             
CONECT   18   17   19                                                       
CONECT   19   39   20   18   62                                             
CONECT   20   21   19                                                       
CONECT   21   23   22   20                                                  
CONECT   22   21                                                            
CONECT   23   24   34   21                                                  
CONECT   24   25   23   63                                                  
CONECT   25   24   26   64   65                                             
CONECT   26   25   27   66   67                                             
CONECT   27   28   68   26   34                                             
CONECT   28   27   29   30   36                                             
CONECT   29   28   69   70   71                                             
CONECT   30   31   32   28   72                                             
CONECT   31   30   73   74   75                                             
CONECT   32   33   30   76   77                                             
CONECT   33   34   32   78   79                                             
CONECT   34   23   27   33   35                                             
CONECT   35   34   80   81   82                                             
CONECT   36   38   37   28   83                                             
CONECT   37   36   84                                                       
CONECT   38   36    2   85   86                                             
CONECT   39   40   19   41   87                                             
CONECT   40   39   88                                                       
CONECT   41   42   39   43   89                                             
CONECT   42   41   90                                                       
CONECT   43   41   17   44   91                                             
CONECT   44   43   92                                                       
CONECT   45    1                                                            
CONECT   46    1                                                            
CONECT   47    1                                                            
CONECT   48    3                                                            
CONECT   49    4                                                            
CONECT   50    4                                                            
CONECT   51    8                                                            
CONECT   52    8                                                            
CONECT   53   10                                                            
CONECT   54   10                                                            
CONECT   55   10                                                            
CONECT   56   11                                                            
CONECT   57   12                                                            
CONECT   58   12                                                            
CONECT   59   16                                                            
CONECT   60   16                                                            
CONECT   61   17                                                            
CONECT   62   19                                                            
CONECT   63   24                                                            
CONECT   64   25                                                            
CONECT   65   25                                                            
CONECT   66   26                                                            
CONECT   67   26                                                            
CONECT   68   27                                                            
CONECT   69   29                                                            
CONECT   70   29                                                            
CONECT   71   29                                                            
CONECT   72   30                                                            
CONECT   73   31                                                            
CONECT   74   31                                                            
CONECT   75   31                                                            
CONECT   76   32                                                            
CONECT   77   32                                                            
CONECT   78   33                                                            
CONECT   79   33                                                            
CONECT   80   35                                                            
CONECT   81   35                                                            
CONECT   82   35                                                            
CONECT   83   36                                                            
CONECT   84   37                                                            
CONECT   85   38                                                            
CONECT   86   38                                                            
CONECT   87   39                                                            
CONECT   88   40                                                            
CONECT   89   41                                                            
CONECT   90   42                                                            
CONECT   91   43                                                            
CONECT   92   44                                                            
MASTER        0    0    0    0    0    0    0    0   92    0  190    0
END

RDKit          3D

92 95  0  0  0  0  0  0  0  0999 V2000
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M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₈O₁₂

Average Mass

624.7240 Da

Monoisotopic Mass

624.31458 Da

IUPAC Name

(1R,8S,9R,12R,13S,14R,16Z,22S,27R,28R,29S,30S)-14,22,28,29,30-pentahydroxy-9,12,13,16,22-pentamethyl-2,19,25,31-tetraoxatetracyclo[25.3.1.0^{4,9}.0^{8,13}]hentriaconta-4,16-diene-3,20,24-trione

Traditional Name

(1R,8S,9R,12R,13S,14R,16Z,22S,27R,28R,29S,30S)-14,22,28,29,30-pentahydroxy-9,12,13,16,22-pentamethyl-2,19,25,31-tetraoxatetracyclo[25.3.1.0^{4,9}.0^{8,13}]hentriaconta-4,16-diene-3,20,24-trione

CAS Registry Number

Not Available

SMILES

[H]O[C@]1([H])[C@]2([H])O[C@]([H])(C([H])([H])OC(=O)C([H])([H])[C@](O[H])(C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])\C([H])=C(C([H])([H])[H])/C([H])([H])[C@@]([H])(O[H])[C@@]3(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4(C(=C([H])C([H])([H])C([H])([H])[C@]34[H])C(=O)O2)C([H])([H])[H])[C@]([H])(O[H])[C@]1([H])O[H]

InChI Identifier

InChI=1S/C32H48O12/c1-17-10-12-41-23(34)14-30(3,40)15-24(35)42-16-20-25(36)26(37)27(38)29(43-20)44-28(39)19-7-6-8-21-31(19,4)11-9-18(2)32(21,5)22(33)13-17/h7,10,18,20-22,25-27,29,33,36-38,40H,6,8-9,11-16H2,1-5H3/b17-10-/t18-,20-,21+,22-,25+,26+,27+,29-,30+,31+,32+/m1/s1

InChI Key

BKGDPZULOBLOGK-GRSUMMTBSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, 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
Syphonota geographica	JEOL database	Carbone, M., et al, Tetrahedron 64, 191 (2008)

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	1.7	ALOGPS
logP	1.61	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-0.18	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	189.28 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	155.94 m³·mol⁻¹	ChemAxon
Polarizability	64.78 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

Carbone, M., et al. (2008). Carbone, M., et al, Tetrahedron 64, 191 (2008). Tetrahedron.

Showing NP-Card for syphonosideol (NP0037319)

MOL for NP0037319 (syphonosideol)

3D MOL for NP0037319 (syphonosideol)

3D SDF for NP0037319 (syphonosideol)

3D-SDF for NP0037319 (syphonosideol)

PDB for NP0037319 (syphonosideol)

3D PDB for NP0037319 (syphonosideol)

SMILES for NP0037319 (syphonosideol)

INCHI for NP0037319 (syphonosideol)

Structure for NP0037319 (syphonosideol)

3D Structure for NP0037319 (syphonosideol)