Glycoside
GD050818
Name:
NoneFormula:
C15H18O6N2Smiles:
C[C@H](C#N)c1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1Aglycone:
CC(C#N)c1ccc(N)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 322.32 | Num_heavy_atoms: | 23 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD26745
Formula: C9H10N2
Smiles:
CC(C#N)c1ccc(N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.19 | Num_heavy_atoms: | 11 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
