Glycoside
GD062625
Name:
6-[3-(benzoyloxy)-2-hydroxypropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C16H20O10Smiles:
O=C(OC[C@@H](O)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
O=C(OCC(O)CO)c1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.33 | Num_heavy_atoms: | 26 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD30349
Formula: C10H12O4
Smiles:
O=C(OCC(O)CO)c1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
