2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside
Chemical Structure Depiction of
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside
Compound characteristics
| Compound ID: | N027-0011 |
| Compound Name: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside |
| Molecular Weight: | 610.53 |
| Molecular Formula: | C27 H30 O16 |
| Smiles: | CC1C(C(C(C(OCC2C(C(C(C(O2)OC2=C(c3ccc(c(c3)O)O)Oc3cc(cc(c3C2=O)O)O)O)O)O)O1)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.4115 |
| logD: | -2.5421 |
| logSw: | -1.9934 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 10 |
| Polar surface area: | 213.628 |
| InChI Key: | IKGXIBQEEMLURG-UHFFFAOYSA-N |