| Phytochemical Name : Angeloylisogomisin O |
| PCNDIDA0141 |
| Pubchem CID : 558337 |
| Molecular formula: C28H34O8 |
| Canonical SMILES : CC=C(C)C(=O)OC1C(C(CC2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)OC)OC)OC)C)C |
Synonymes : Angeloylisogomisin O|Heteroclitin B|Heteroclitin C|(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-11-yl) 2-methylbut-2-enoate|140461-47-8|83864-70-4|140460-42-0|Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole, 2-butenoic acid deriv.; Angeloylisogomisin O|B0005-152344|[(9S,10S,11R)-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-11-yl] (Z)-2-methylbut-2-enoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.240 |
| Log Po/w (XLOGP3) : 5.790 |
| Log Po/w (WLOGP) : 5.170 |
| Log Po/w (MLOGP) : 2.850 |
| Log Po/w (SILICOS-IT) : 5.390 |
| Consensus Log Po/w : 4.690 |