Glycoside
GD062726
Name:
1-O-(3,4,5-Trimethoxybenzoyl)-B-D-GlucopyranosideFormula:
C16H22O10Smiles:
COc1cc(C(=O)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OCAglycone:
COc1cc(C(=O)O)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.34 | Num_heavy_atoms: | 26 |
| TPSA: | 144.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD07161
Formula: C10H12O5
Smiles:
COc1cc(C(=O)O)cc(OC)c1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
