Glycoside
GD091188
Name:
NoneFormula:
C17H21O5N6F3Smiles:
CN(c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@H]1CCN(CC(F)(F)F)C1=OAglycone:
CN(c1ncnc2c1N=C[N]2)C1CCN(CC(F)(F)F)C1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.39 | Num_heavy_atoms: | 31 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD39751
Formula: C12H12ON6F3
Smiles:
CN(c1ncnc2c1N=C[N]2)C1CCN(CC(F)(F)F)C1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.26 | Num_heavy_atoms: | 22 |
| TPSA: | 75.79 | NumAromaticRings: | 1 |
