| Phytochemical Name : methyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate |
| PCNDIDM0066 |
| Pubchem CID : 331642 |
| Molecular formula: C17H24O11 |
| Canonical SMILES : COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O |
Synonymes : Gardenoside|methyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate|24512-62-7|C17H24O11|NSC-325664|C17-H24-O11|DTXSID20947403|NSC325664|methyl 1-(hexopyranosyloxy)-7-hydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.450 |
| Log Po/w (XLOGP3) : -2.810 |
| Log Po/w (WLOGP) : -3.260 |
| Log Po/w (MLOGP) : -2.620 |
| Log Po/w (SILICOS-IT) : -2.790 |
| Consensus Log Po/w : -2.010 |