Glycoside
GD116114
Name:
3'-O-Acetylloganic AcidFormula:
C18H26O11Smiles:
CC(=O)OC1C(O)C(CO)OC(OC2OC=C(C(=O)O)C3CC(O)C(C)C23)C1OAglycone:
CC1C(O)CC2C(C(=O)O)=COC(O)C21Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)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
AD07728
Formula: C10H14O5
Smiles:
CC1C(O)CC2C(C(=O)O)=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
