Glycoside
GD026172
Name:
NoneFormula:
C25H23O5N6F3Smiles:
O=C(Cc1ccc(Nc2ncnc3c2ncn3C2O[C@H](CO)[C@H](O)[C@H]2O)cc1)Nc1ccc(C(F)(F)F)cc1Aglycone:
O=C(Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccc(C(F)(F)F)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.49 | Num_heavy_atoms: | 39 |
| TPSA: | 154.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD17271
Formula: C20H14ON6F3
Smiles:
O=C(Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccc(C(F)(F)F)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.37 | Num_heavy_atoms: | 30 |
| TPSA: | 93.37 | NumAromaticRings: | 3 |
