Glycoside
GD090716
Name:
NoneFormula:
C17H21O5N6F3Smiles:
O=C1[C@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCCN1CC(F)(F)FAglycone:
O=C1C(Nc2ncnc3c2N=C[N]3)CCCN1CC(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.39 | Num_heavy_atoms: | 31 |
| TPSA: | 145.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD39487
Formula: C12H12ON6F3
Smiles:
O=C1C(Nc2ncnc3c2N=C[N]3)CCCN1CC(F)(F)F| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.26 | Num_heavy_atoms: | 22 |
| TPSA: | 84.58 | NumAromaticRings: | 1 |
