Glycoside
GD001800
Name:
NoneFormula:
C19H19O4N6F3Smiles:
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C=O)Cc1ccc(C(F)(F)F)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.39 | Num_heavy_atoms: | 32 |
| TPSA: | 139.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01763
Formula: C10H10ONF3
Smiles:
CN(C=O)Cc1ccc(C(F)(F)F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 217.19 | Num_heavy_atoms: | 15 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
