Glycoside
GD011210
Name:
NoneFormula:
C19H19O4N7Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC)nc(C#Cc4ccccn4)nc32)[C@H](O)[C@H]1OAglycone:
CNc1nc(C#Cc2ccccn2)nc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 409.41 | Num_heavy_atoms: | 30 |
| TPSA: | 147.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD08589
Formula: C13H9N6
Smiles:
CNc1nc(C#Cc2ccccn2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 249.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.16 | NumAromaticRings: | 2 |
