Glycoside
GD020336
Name:
ASPERULOSIDIC ACIDFormula:
C18H24O12Smiles:
CC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12Aglycone:
CC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.38 | Num_heavy_atoms: | 30 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD14053
Formula: C12H14O7
Smiles:
CC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.24 | Num_heavy_atoms: | 19 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
