Glycoside
GD023321
Name:
NoneFormula:
C21H28O11Smiles:
C#CC(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
C#CC(O)c1ccccc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -3.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.44 | Num_heavy_atoms: | 32 |
| TPSA: | 178.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD15702
Formula: C9H8O
Smiles:
C#CC(O)c1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 132.16 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
