Glycoside
GD036848
Name:
NoneFormula:
C17H16O4N5F3Smiles:
Nc1ncnc2c1c(-c1ccc(C(F)(F)F)cc1)nn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(c1ccc(C(F)(F)F)cc1)=N[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 411.34 | Num_heavy_atoms: | 29 |
| TPSA: | 139.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD23238
Formula: C12H7N5F3
Smiles:
Nc1ncnc2c1C(c1ccc(C(F)(F)F)cc1)=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.22 | Num_heavy_atoms: | 20 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
