Glycoside
GD141394
Name:
Ethyl 3-Hydroxyoctanoate 3-O-Beta-D-Glucopyranosyl-(1->6)-Beta-D-GlucopyranosideFormula:
C22H40O13Smiles:
CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCC(O)CC(=O)OCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 13 |
| MolWt: | 512.55 | Num_heavy_atoms: | 35 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD45213
Formula: C10H20O3
Smiles:
CCCCCC(O)CC(=O)OCC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 188.27 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
