| Phytochemical Name : Koprutin |
| PCNDIDK0031 |
| Pubchem CID : 23696393 |
| Molecular formula: C27H31NaO20S |
| Canonical SMILES : CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)[O-])O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O.[Na+] |
Synonymes : Rutin sulfate|Koprutin|12768-44-4|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside - sulfuric acid (1:1)|4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, hydrogen sulfate, sodium salt|quercetin-3-rhamnoglucoside|LS-7691|L-(-)-2-Oxothiazolidine-4-carboxylic acid|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-beta-D-gulopyranosyl)-beta-L-allopyranoside - sulfuric acid (1:1) |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -16.840 |
| Log Po/w (XLOGP3) : -1.710 |
| Log Po/w (WLOGP) : -0.820 |
| Log Po/w (MLOGP) : -4.890 |
| Log Po/w (SILICOS-IT) : -2.110 |
| Consensus Log Po/w : -5.270 |