Glycoside
GD021413
Name:
NoneFormula:
C16H16O5N4Smiles:
NC(=O)c1nnn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1C#Cc1ccccc1Aglycone:
NC(=O)C1=C(C#Cc2ccccc2)[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.33 | Num_heavy_atoms: | 25 |
| TPSA: | 143.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD14646
Formula: C11H7ON4
Smiles:
NC(=O)C1=C(C#Cc2ccccc2)[N]N=N1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 211.2 | Num_heavy_atoms: | 16 |
| TPSA: | 81.91 | NumAromaticRings: | 1 |
