| Phytochemical Name : Divaricoside |
| PCNDIDD0165 |
| Pubchem CID : 120704 |
| Molecular formula: C30H46O8 |
| Canonical SMILES : CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O |
Synonymes : Divaricoside|Divaside|508-84-9|Divaricosid [German]|Divaricosid|Sarmentogenin-alpha-L-oleandrosid [German]|Sarmentogenin-alpha-L-oleandrosid|3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-11,14-dihydroxy-, (3beta,5beta,11alpha)-|CHEBI:4668|DTXSID201111137|Sarmentogenin 3-O-alpha-L-oleandroside|LS-63352|C08863|Q27106433|(3beta,5beta,11alpha)-3-[(2,6-Dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.970 |
| Log Po/w (XLOGP3) : 1.220 |
| Log Po/w (WLOGP) : 0.140 |
| Log Po/w (MLOGP) : -1.400 |
| Log Po/w (SILICOS-IT) : -0.370 |
| Consensus Log Po/w : 0.710 |