Glycoside
GD090265
Name:
NoneFormula:
C17H22O5N5F3Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCC([C@H](O)C(F)(F)F)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
OC(C1CCN(c2ncnc3c2N=C[N]3)CC1)C(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 433.39 | Num_heavy_atoms: | 30 |
| TPSA: | 136.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD39285
Formula: C12H13ON5F3
Smiles:
OC(C1CCN(c2ncnc3c2N=C[N]3)CC1)C(F)(F)F| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.26 | Num_heavy_atoms: | 21 |
| TPSA: | 75.71 | NumAromaticRings: | 1 |
