Glycoside
GD030175
Name:
NoneFormula:
C13H16O5N4Smiles:
OC[C@@H]1O[C@H](c2nc(-c3ccccn3)n[nH]2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc(-c2nc[nH]n2)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.29 | Num_heavy_atoms: | 22 |
| TPSA: | 144.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD19542
Formula: C7H6N4
Smiles:
c1ccc(-c2nc[nH]n2)nc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.15 | Num_heavy_atoms: | 11 |
| TPSA: | 54.46 | NumAromaticRings: | 2 |
