Glycoside
GD066227
Name:
NoneFormula:
C13H17O6N2F3Smiles:
Cn1c(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)ccc1C(F)(F)FAglycone:
Cn1c(CN)ccc1C(F)(F)FSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 354.28 | Num_heavy_atoms: | 24 |
| TPSA: | 132.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD31761
Formula: C7H9N2F3
Smiles:
Cn1c(CN)ccc1C(F)(F)F| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.16 | Num_heavy_atoms: | 12 |
| TPSA: | 30.95 | NumAromaticRings: | 1 |
