Glycoside
GD132558
Name:
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C21H18O11Smiles:
O=C(Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)C1OC(O)C(O)C(O)C1OAglycone:
O=COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.36 | Num_heavy_atoms: | 32 |
| TPSA: | 187.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD53672
Formula: C16H10O6
Smiles:
O=COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.25 | Num_heavy_atoms: | 22 |
| TPSA: | 96.97 | NumAromaticRings: | 3 |
