Glycoside
GD011172
Name:
PatrinosideFormula:
C21H34O11Smiles:
CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C2C[C@H](O)[C@H](CO)C21Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC(O)C(CO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.49 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD08564
Formula: C15H24O6
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC(O)C(CO)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 300.35 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
