| Phytochemical Name : Obtusifolin 2-glucoside |
| PCNDIDO0002 |
| Pubchem CID : 442761 |
| Molecular formula: C22H22O10 |
| Canonical SMILES : CC1=CC2=C(C(=C1OC3C(C(C(C(O3)CO)O)O)O)OC)C(=O)C4=C(C2=O)C=CC=C4O |
Synonymes : Obtusifolin 2-glucoside|gluco-obtusifolin|CHEBI:7716|CHEMBL517625|120163-18-0|C10381|8-hydroxy-1-methoxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione|AC1L9DD5|DTXSID80331940|BDBM50133129|Q27107567|8-hydroxy-1-methoxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.210 |
| Log Po/w (XLOGP3) : 1.240 |
| Log Po/w (WLOGP) : -0.340 |
| Log Po/w (MLOGP) : -1.550 |
| Log Po/w (SILICOS-IT) : 0.990 |
| Consensus Log Po/w : 0.510 |