Glycoside
GD016126
Name:
NoneFormula:
C23H20O3N4F2Smiles:
C[C@@H]1O[C@H](n2cc(-c3ccc(F)cc3)c3c(Nc4ccc(F)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Fc1ccc(Nc2ncnc3c2C(c2ccc(F)cc2)=C[N]3)cc1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.43 | Num_heavy_atoms: | 32 |
| TPSA: | 92.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD11648
Formula: C18H11N4F2
Smiles:
Fc1ccc(Nc2ncnc3c2C(c2ccc(F)cc2)=C[N]3)cc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.31 | Num_heavy_atoms: | 24 |
| TPSA: | 51.91 | NumAromaticRings: | 3 |
