Glycoside
GD025091
Name:
Octanoic Acid; [β-D-Glucopyranosyl-(1->2)-β-D-Glucopyranosyl] EsterFormula:
C20H36O12Smiles:
CCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCC(=O)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 468.5 | Num_heavy_atoms: | 32 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD04095
Formula: C8H16O2
Smiles:
CCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 144.21 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
