Glycoside
GD092766
Name:
NoneFormula:
C18H18O5N5F3Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(OC(F)(F)F)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
FC(F)(F)Oc1ccc(CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.37 | Num_heavy_atoms: | 31 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD04942
Formula: C13H9ON5F3
Smiles:
FC(F)(F)Oc1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 308.24 | Num_heavy_atoms: | 22 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
