Glycoside
GD007861
Name:
NoneFormula:
C19H19O4N6F3Smiles:
CNC(=O)[C@@H]1OC(n2cnc3c(NCc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)(F)c1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.39 | Num_heavy_atoms: | 32 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD06354
Formula: C13H9N5F3
Smiles:
FC(F)(F)c1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.24 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
