Glycoside
GD044917
Name:
NoneFormula:
C11H14O6N4Smiles:
Cn1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(C#N)n1Aglycone:
Cn1cc(N)c(C#N)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 298.26 | Num_heavy_atoms: | 21 |
| TPSA: | 168.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD25137
Formula: C5H6N4
Smiles:
Cn1cc(N)c(C#N)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 122.13 | Num_heavy_atoms: | 9 |
| TPSA: | 67.63 | NumAromaticRings: | 1 |
