Glycoside
GD006406
Name:
NoneFormula:
C16H14O4N4F2Smiles:
OC[C@@H]1OC(n2cnc3c(-c4ccc(F)c(F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Fc1ccc(-c2ncnc3c2N=C[N]3)cc1FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.31 | Num_heavy_atoms: | 26 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD05310
Formula: C11H5N4F2
Smiles:
Fc1ccc(-c2ncnc3c2N=C[N]3)cc1F| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 231.19 | Num_heavy_atoms: | 17 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
