| Phytochemical Name : [(4S,7S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate |
| PCNDIDOT0296 |
| Pubchem CID : 51346168 |
| Molecular formula: C18H22O11 |
| Canonical SMILES : CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O |
Synonymes : 14259-45-1|Asperulosid|C18H22O11|C18-H22-O11|1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-5-(.beta.-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS,4aS,5S,7bS)-|1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-5-(.beta.-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, [2aS-(2a.alpha.,4a.alpha.,5.alpha.,7b.alpha.)]-|s9051|CCG-268811|AC-34101 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.620 |
| Log Po/w (XLOGP3) : -2.420 |
| Log Po/w (WLOGP) : -2.300 |
| Log Po/w (MLOGP) : -1.660 |
| Log Po/w (SILICOS-IT) : -1.880 |
| Consensus Log Po/w : -1.330 |