Glycoside
GD028374
Name:
Ethyl AmygdalinateFormula:
C22H32O13Smiles:
CCOC(=O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
CCOC(=O)C(O)c1ccccc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -3.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.49 | Num_heavy_atoms: | 35 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD18550
Formula: C10H12O3
Smiles:
CCOC(=O)C(O)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
