Glycoside
GD099781
Name:
N-{[3,4-dihydroxy-5-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)oxolan-2-yl]methyl}methanesulfonamideFormula:
C16H18O7N3F3SSmiles:
CS(=O)(=O)NC[C@H]1O[C@@H](Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)[C@H](O)[C@@H]1OAglycone:
CNS(C)(=O)=O.Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 453.4 | Num_heavy_atoms: | 30 |
| TPSA: | 144.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD05521
Formula: C2H7O2NS
Smiles:
CNS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.15 | Num_heavy_atoms: | 6 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
AD38152
Formula: C10H7O2N2F3
Smiles:
Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.17 | Num_heavy_atoms: | 17 |
| TPSA: | 48.15 | NumAromaticRings: | 2 |
