Glycoside
GD114482
Name:
(3,4,5-trihydroxyoxolan-3-yl)methyl 4-methoxybenzoateFormula:
C13H16O7Smiles:
COc1ccc(C(=O)OCC2(O)COC(O)C2O)cc1Aglycone:
COC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD02530
Formula: C9H10O3
Smiles:
COC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
