Glycoside
GD051583
Name:
NoneFormula:
C13H16O5NF3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cccc(C(F)(F)F)c2)[C@@H](O)[C@@H]1OAglycone:
Nc1cccc(C(F)(F)F)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 323.27 | Num_heavy_atoms: | 22 |
| TPSA: | 102.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD21356
Formula: C7H6NF3
Smiles:
Nc1cccc(C(F)(F)F)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.13 | Num_heavy_atoms: | 11 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
