| Phytochemical Name : methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate |
| PCNDIDM0064 |
| Pubchem CID : 16394645 |
| Molecular formula: C17H24O10 |
| Canonical SMILES : COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O |
Synonymes : Geniposide|24512-63-8|AKOS030504232|methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.220 |
| Log Po/w (XLOGP3) : -2.340 |
| Log Po/w (WLOGP) : -2.230 |
| Log Po/w (MLOGP) : -1.860 |
| Log Po/w (SILICOS-IT) : -1.910 |
| Consensus Log Po/w : -1.220 |