Glycoside
GD001194
Name:
Z-harpagosideFormula:
C24H30O11Smiles:
C[C@]1(OC(=O)C=Cc2ccccc2)C[C@H](O)[C@]2(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12Aglycone:
CC1(OC(=O)C=Cc2ccccc2)CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.49 | Num_heavy_atoms: | 35 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD01243
Formula: C18H20O6
Smiles:
CC1(OC(=O)C=Cc2ccccc2)CC(O)C2(O)C=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.35 | Num_heavy_atoms: | 24 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
