Glycoside
GD051122
Name:
NoneFormula:
C15H20O7Smiles:
CCC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CCC(=O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 312.32 | Num_heavy_atoms: | 22 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD26829
Formula: C9H10O2
Smiles:
CCC(=O)c1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
