Glycoside
GD049355
Name:
NoneFormula:
C12H17O5N5Smiles:
Cn1cncc1-c1cn(C[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1Aglycone:
Cn1cc(-c2cncn2C)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 311.3 | Num_heavy_atoms: | 22 |
| TPSA: | 138.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD26165
Formula: C7H9N5
Smiles:
Cn1cc(-c2cncn2C)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.18 | Num_heavy_atoms: | 12 |
| TPSA: | 48.53 | NumAromaticRings: | 2 |
