| Phytochemical Name : Cassiaside |
| PCNDIDC0069 |
| Pubchem CID : 164146 |
| Molecular formula: C20H20O9 |
| Canonical SMILES : CC1=CC(=O)C2=C(O1)C=C3C=CC=C(C3=C2O)OC4C(C(C(C(O4)CO)O)O)O |
Synonymes : Cassiaside|123914-49-8|13709-03-0|Cassiaside A|5-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one|4H-Naphtho(2,3-b)pyran-4-one, 6-(beta-D-glucopyranosyloxy)-5-hydroxy-2-methyl-|DTXSID70154145|CHEBI:168433|C20-H29-O9|E87130|4H-Naphtho[2,3-b]pyran-4-one,6-(beta-D-glucopyranosyloxy)-5-hydroxy-2-methyl- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.790 |
| Log Po/w (XLOGP3) : 1.210 |
| Log Po/w (WLOGP) : 0.140 |
| Log Po/w (MLOGP) : -1.300 |
| Log Po/w (SILICOS-IT) : 0.810 |
| Consensus Log Po/w : 0.530 |