| Phytochemical Name : CID 101672279 |
| PCNDIDC0136 |
| Pubchem CID : 101672279 |
| Molecular formula: C39H66O14 |
| Canonical SMILES : CC1C2C(C(C3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)OC1(CCC(C)C)O |
Synonymes : Anemarrhenasaponin I|163047-21-0|(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(1R,2S,3R,4R,7S,8R,9S,12S,13S,16S,18R)-3,6-dihydroxy-7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|Anemarrhenasaponin 1|HY-N4213|MS-31347|CS-0032448 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.120 |
| Log Po/w (XLOGP3) : 2.550 |
| Log Po/w (WLOGP) : 0.400 |
| Log Po/w (MLOGP) : -0.520 |
| Log Po/w (SILICOS-IT) : -0.350 |
| Consensus Log Po/w : 1.240 |