Glycoside
GD001204
Name:
NoneFormula:
C20H20O4N6Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
CNc1nc(C#Cc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.42 | Num_heavy_atoms: | 30 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD01252
Formula: C14H10N5
Smiles:
CNc1nc(C#Cc2ccccc2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.27 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
