Glycoside
GD141304
Name:
7-O-Acetyl-8-Epi-Loganic AcidFormula:
C18H26O11Smiles:
CC(=O)OC1CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C2C1CAglycone:
CC(=O)OC1CC2C(C(=O)O)=COC(O)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.4 | Num_heavy_atoms: | 29 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD51209
Formula: C12H16O6
Smiles:
CC(=O)OC1CC2C(C(=O)O)=COC(O)C2C1C| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
