Glycoside
GD033974
Name:
NoneFormula:
C9H12O4N6SSmiles:
Nc1nn2c([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)nnc2c(=S)[nH]1Aglycone:
Nc1nn2cnnc2c(=S)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.3 | Num_heavy_atoms: | 20 |
| TPSA: | 154.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD21646
Formula: C4H4N6S
Smiles:
Nc1nn2cnnc2c(=S)[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.19 | Num_heavy_atoms: | 11 |
| TPSA: | 84.89 | NumAromaticRings: | 2 |
