Glycoside
GD069864
Name:
NoneFormula:
C17H22O6N2Smiles:
CC(=O)N[C@H]1[C@H](OCC#N)[C@H](O)[C@H](CO)O[C@H]1OCc1ccccc1Aglycone:
OCc1ccccc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OCC#NOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 350.37 | Num_heavy_atoms: | 25 |
| TPSA: | 121.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
