Glycoside
GD001422
Name:
NoneFormula:
C18H20O4N7FSmiles:
CC(=NNc1nc(N)c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1)c1ccc(F)cc1Aglycone:
CC(=NNc1nc(N)c2c(n1)[N]C=N2)c1ccc(F)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.4 | Num_heavy_atoms: | 30 |
| TPSA: | 163.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD01431
Formula: C13H11N7F
Smiles:
CC(=NNc1nc(N)c2c(n1)[N]C=N2)c1ccc(F)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.28 | Num_heavy_atoms: | 21 |
| TPSA: | 102.65 | NumAromaticRings: | 2 |
