Glycoside
GD142597
Name:
6-(3,4-dimethoxybenzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C15H18O10Smiles:
COc1ccc(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1OCAglycone:
COc1ccc(C(=O)O)cc1OCSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.3 | Num_heavy_atoms: | 25 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD04892
Formula: C9H10O4
Smiles:
COc1ccc(C(=O)O)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
