Glycoside
GD079145
Name:
AsperulosideFormula:
C18H22O11Smiles:
CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@@H]32Aglycone:
CC(=O)OCC1=CC2OC(=O)C3=COC(O)C1C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.36 | Num_heavy_atoms: | 29 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD11806
Formula: C12H12O6
Smiles:
CC(=O)OCC1=CC2OC(=O)C3=COC(O)C1C32| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.22 | Num_heavy_atoms: | 18 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
