Glycoside
GD008639
Name:
Hexanoic Acid; [β-D-Glucopyranosyl-(1->2)-β-D-Glucopyranosyl] EsterFormula:
C18H32O12Smiles:
CCCCCC(=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:
CCCCCC(=O)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 440.44 | Num_heavy_atoms: | 30 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00130
Formula: C6H12O2
Smiles:
CCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
