Glycoside
GD091934
Name:
NoneFormula:
C17H23O5N6F3Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NC[C@@H](N4CCOCC4)C(F)(F)F)ncnc32)[C@H](O)[C@@H]1OAglycone:
FC(F)(F)C(CNc1ncnc2c1N=C[N]2)N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.4 | Num_heavy_atoms: | 31 |
| TPSA: | 138.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD40114
Formula: C12H14ON6F3
Smiles:
FC(F)(F)C(CNc1ncnc2c1N=C[N]2)N1CCOCC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.28 | Num_heavy_atoms: | 22 |
| TPSA: | 76.74 | NumAromaticRings: | 1 |
