| Phytochemical Name : Wanepimedoside A |
| PCNDIDW0003 |
| Pubchem CID : 44259081 |
| Molecular formula: C33H42O15 |
| Canonical SMILES : CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=C(C(=CC(=C4C3=O)O)O)CCC(C)(C)O)C5=CC=C(C=C5)OC)C)O)O)O)O)O |
Synonymes : Wanepimedoside A|8-(3''-Hydroxy-3''-methylbutyl)kaempferol 4'-methyl ether 3-rhamnosyl-(1->2)-rhamnoside|CHEBI:185530|LMPK12112030|3-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.700 |
| Log Po/w (XLOGP3) : 1.000 |
| Log Po/w (WLOGP) : 0.640 |
| Log Po/w (MLOGP) : -2.280 |
| Log Po/w (SILICOS-IT) : 0.780 |
| Consensus Log Po/w : 0.570 |