Glycoside
GD070316
Name:
NoneFormula:
C16H16O4N5FSmiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Fc1cccc(Nc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.33 | Num_heavy_atoms: | 26 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD19641
Formula: C11H7N5F
Smiles:
Fc1cccc(Nc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.21 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
