Glycoside
GD039220
Name:
1-(beta-d-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dioneFormula:
C11H13O7N2F3Smiles:
O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1C(F)(F)FAglycone:
O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 342.23 | Num_heavy_atoms: | 23 |
| TPSA: | 145.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD12642
Formula: C5H3O2N2F3
Smiles:
O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 180.09 | Num_heavy_atoms: | 12 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
