Glycoside
GD139698
Name:
β-D-Glucopyranosyl-(1->2)-[β-D-Glucopyranosyl-(1->6)]-D-Glucose; β-Pyranose-Form, 1,6'-Di-O-OctanoylFormula:
C34H60O18Smiles:
CCCCCCCC(=O)OCC1OC(OC2C(OC(=O)CCCCCCC)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCCC(=O)O.CCCCCCCC(=O)OCSugarmoiety:
OCC1OC(OCC2OOC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 21 |
| MolWt: | 756.84 | Num_heavy_atoms: | 52 |
| TPSA: | 280.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD01605
Formula: C9H18O2
Smiles:
CCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.89 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 158.24 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
