Glycoside
GD143615
Name:
LigustrinosideFormula:
C33H48O19Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(OC(=O)C1=COC(OC3OC(CO)C(O)C(O)C3O)C3C1CC(O)C3C)C2CAglycone:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C1=COC(O)C3C1CC(O)C3C)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.82 |
| AlogP: | -3.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 748.73 | Num_heavy_atoms: | 52 |
| TPSA: | 290.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD57751
Formula: C21H28O9
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C1=COC(O)C3C1CC(O)C3C)C2C| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
