2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl hexopyranoside
Chemical Structure Depiction of
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl hexopyranoside
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl hexopyranoside
Compound characteristics
| Compound ID: | 0120-0018 |
| Compound Name: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl hexopyranoside |
| Molecular Weight: | 448.38 |
| Molecular Formula: | C21 H20 O11 |
| Smiles: | C(C1C(C(C(C(O1)Oc1cc(c2C(C=C(c3ccc(c(c3)O)O)Oc2c1)=O)O)O)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4716 |
| logD: | 0.4648 |
| logSw: | -1.8553 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 7 |
| Polar surface area: | 151.288 |
| InChI Key: | PEFNSGRTCBGNAN-UHFFFAOYSA-N |