Glycoside
GD091814
Name:
NoneFormula:
C18H18O5N6F2Smiles:
O=C(CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Nc1ccc(F)c(F)c1Aglycone:
O=C(CNc1ncnc2c1N=C[N]2)Nc1ccc(F)c(F)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.38 | Num_heavy_atoms: | 31 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD40036
Formula: C13H9ON6F2
Smiles:
O=C(CNc1ncnc2c1N=C[N]2)Nc1ccc(F)c(F)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 303.25 | Num_heavy_atoms: | 22 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
