Glycoside
GD123793
Name:
O-Acetylgeniposidic AcidFormula:
C18H24O11Smiles:
CC(=O)OCC1=CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=O)OCC1=CCC2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.38 | Num_heavy_atoms: | 29 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD49978
Formula: C12H14O6
Smiles:
CC(=O)OCC1=CCC2C(C(=O)O)=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.24 | Num_heavy_atoms: | 18 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
