Glycoside
GD139645
Name:
Octanoic Acid; [6-O-Hexanoyl-β-D-Glucopyranosyl-(1->2)-[β-D-Glucopyranosyl-(1->6)]-β-D-Glucopyranosyl] EsterFormula:
C32H56O18Smiles:
CCCCCCCC(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(COC(=O)CCCCC)C(O)C(O)C1OAglycone:
CCCCCC(=O)OC.CCCCCCCC(=O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(O)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: | -2.53 | Num_rotatable_bonds: | 19 |
| MolWt: | 728.78 | Num_heavy_atoms: | 50 |
| TPSA: | 280.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD02869
Formula: C7H14O2
Smiles:
CCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| 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 |
