Glycoside
GD037683
Name:
3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-d-glucopyranosideFormula:
C14H15O6NF4Smiles:
O=C(N[C@@H]1[C@@H](Oc2ccc(F)c(F)c2)O[C@H](CO)[C@H](O)[C@@H]1O)C(F)FAglycone:
NC(=O)C(F)F.Oc1ccc(F)c(F)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 369.27 | Num_heavy_atoms: | 25 |
| TPSA: | 108.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD05657
Formula: C2H3ONF2
Smiles:
NC(=O)C(F)F| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 95.05 | Num_heavy_atoms: | 6 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
AD09971
Formula: C6H4OF2
Smiles:
Oc1ccc(F)c(F)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.09 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
