Glycoside
GD026911
Name:
PRUNIOSIDE AFormula:
C25H30O11Smiles:
C=C(C)C(OC(=O)C=Cc1ccc(O)cc1)C1CC(=CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)O1Aglycone:
C=C(C)C(OC(=O)C=Cc1ccc(O)cc1)C1CC(=CCO)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD17714
Formula: C19H20O6
Smiles:
C=C(C)C(OC(=O)C=Cc1ccc(O)cc1)C1CC(=CCO)C(=O)O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
