Glycoside
GD006189
Name:
NoneFormula:
C17H16O4N5F3Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(F)c(F)c4F)ncnc32)[C@H](O)[C@H]1OAglycone:
Fc1ccc(CNc2ncnc3c2N=C[N]3)c(F)c1FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.34 | Num_heavy_atoms: | 29 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD05143
Formula: C12H7N5F3
Smiles:
Fc1ccc(CNc2ncnc3c2N=C[N]3)c(F)c1F| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.22 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
