Glycoside
GD004979
Name:
NoneFormula:
C18H19O5N5F2Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4OC(F)F)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)Oc1ccccc1CNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 423.38 | Num_heavy_atoms: | 30 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD04272
Formula: C13H10ON5F2
Smiles:
FC(F)Oc1ccccc1CNc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 290.25 | Num_heavy_atoms: | 21 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
