Glycoside
GD120239
Name:
10-AcetoxyligustrosideFormula:
C27H34O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCOC(C)=O)C1CC(=O)OCCc1ccc(O)cc1Aglycone:
COC(=O)C1=COC(O)C(=CCOC(C)=O)C1CC(=O)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 207.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD48274
Formula: C21H24O9
Smiles:
COC(=O)C1=COC(O)C(=CCOC(C)=O)C1CC(=O)OCCc1ccc(O)cc1| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
