Glycoside
GD013543
Name:
NoneFormula:
C18H17O4N4F3Smiles:
Nc1ncnc2c1c(-c1ccc(C(F)(F)F)cc1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(c1ccc(C(F)(F)F)cc1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.35 | Num_heavy_atoms: | 29 |
| TPSA: | 126.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD10086
Formula: C13H8N4F3
Smiles:
Nc1ncnc2c1C(c1ccc(C(F)(F)F)cc1)=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 277.23 | Num_heavy_atoms: | 20 |
| TPSA: | 65.9 | NumAromaticRings: | 2 |
