| Phytochemical Name : Thermopsoside |
| PCNDIDT0052 |
| Pubchem CID : 11294177 |
| Molecular formula: C22H22O11 |
| Canonical SMILES : COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O |
Synonymes : THERMOPSOSIDE|19993-32-9|Chrysoeriol 7-O-glucoside|Termopsoside|Chrysoeriol 7-glucoside|Chrysoeriol 7-beta-glucoside|5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one|Chrysoeriol-7-O-glucoside|4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-|Chrysoeriol-7-O-beta-D-glucopyranoside|7-Glu Chrysoeriol|Chrysoeriol7-O-glucoside|CHEMBL486391|DTXSID20941966|HY-N6023|MFCD11975476|AKOS040757687|CS-0032190|Chrysoeriol-7-O-beta-D-glucopyranosideThermopsoside|Q63393042|5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.660 |
| Log Po/w (XLOGP3) : 1.790 |
| Log Po/w (WLOGP) : 0.060 |
| Log Po/w (MLOGP) : -1.890 |
| Log Po/w (SILICOS-IT) : 0.420 |
| Consensus Log Po/w : 0.610 |