Glycoside
GD008957
Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C21H18O12Smiles:
O=C(Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1)[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.36 | Num_heavy_atoms: | 33 |
| TPSA: | 207.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD07086
Formula: C16H10O7
Smiles:
O=COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.25 | Num_heavy_atoms: | 23 |
| TPSA: | 117.2 | NumAromaticRings: | 3 |
