Glycoside
GD070085
Name:
NoneFormula:
C16H17O5N2F3Smiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2cnc3ccc(C(F)(F)F)cc3c2)[C@@H](O)[C@@H]1OAglycone:
Nc1cnc2ccc(C(F)(F)F)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 374.32 | Num_heavy_atoms: | 26 |
| TPSA: | 115.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD33189
Formula: C10H7N2F3
Smiles:
Nc1cnc2ccc(C(F)(F)F)cc2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.17 | Num_heavy_atoms: | 15 |
| TPSA: | 38.91 | NumAromaticRings: | 2 |
