Glycoside
GD132645
Name:
6-{[2-(2,5-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C21H18O12Smiles:
O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4cc(O)ccc4O)oc3c2)C(O)C(O)C1OAglycone:
O=c1cc(-c2cc(O)ccc2O)oc2cc(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.36 | Num_heavy_atoms: | 33 |
| TPSA: | 207.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD53704
Formula: C15H10O6
Smiles:
O=c1cc(-c2cc(O)ccc2O)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
