| Phytochemical Name : Tigloylgomisin P |
| PCNDIDT0068 |
| Pubchem CID : 5318785 |
| Molecular formula: C28H34O9 |
| Canonical SMILES : CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC |
Synonymes : Tigloylgomisin P|69176-51-8|Tiglogomisin P|Schizandrer B|UNII-2VFX4QAR6A|2VFX4QAR6A|2-Butenoic acid, 2-methyl-, (5R,6R,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-yl ester, (2E)-|[(8R,9R,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (E)-2-methylbut-2-enoate|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,13-tetramethyl-, 5-(2-methylcrotonate), stereoisomer|82078-76-0|Schisanhenrin|CHEMBL253907|HY-N7586|AKOS040760735|LS-33969|MS-29549|CS-0134318|E88928|Q27255652 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.880 |
| Log Po/w (XLOGP3) : 4.560 |
| Log Po/w (WLOGP) : 4.290 |
| Log Po/w (MLOGP) : 2.080 |
| Log Po/w (SILICOS-IT) : 4.910 |
| Consensus Log Po/w : 3.940 |