Glycoside
GD111053
Name:
N-{8-chloro-2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-yl}-N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamideFormula:
C27H26O7N2F3ClSmiles:
CC(=O)N(c1cc(Cl)c2nc(C)cc(C)c2c1Oc1cccc(C(F)(F)F)c1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)Nc1cc(Cl)c2nc(C)cc(C)c2c1Oc1cccc(C(F)(F)F)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 570.95 | Num_heavy_atoms: | 39 |
| TPSA: | 132.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD44687
Formula: C21H16O2N2F3Cl
Smiles:
CC(=O)Nc1cc(Cl)c2nc(C)cc(C)c2c1Oc1cccc(C(F)(F)F)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 6.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.81 | Num_heavy_atoms: | 28 |
| TPSA: | 51.22 | NumAromaticRings: | 3 |
