Glycoside
GD070451
Name:
NoneFormula:
C16H15O5N4FSmiles:
OC[C@H]1O[C@@H](n2cnc3c(Oc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Fc1ccc(Oc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.32 | Num_heavy_atoms: | 26 |
| TPSA: | 122.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD33394
Formula: C11H6ON4F
Smiles:
Fc1ccc(Oc2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 229.19 | Num_heavy_atoms: | 17 |
| TPSA: | 61.47 | NumAromaticRings: | 2 |
