Glycoside
GD058551
Name:
NoneFormula:
C16H20O6N2Smiles:
CC(C)(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(C#N)cc1Aglycone:
CC(C)(N)c1ccc(C#N)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 336.34 | Num_heavy_atoms: | 24 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD29252
Formula: C10H12N2
Smiles:
CC(C)(N)c1ccc(C#N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.22 | Num_heavy_atoms: | 12 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
