Glycoside
GD126951
Name:
N-{[3,4-dihydroxy-5-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)oxolan-2-yl]methyl}acetamideFormula:
C17H18O6N3F3Smiles:
CC(O)=NCC1OC(Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)C(O)C1OAglycone:
CN=C(C)O.Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.34 | Num_heavy_atoms: | 29 |
| TPSA: | 130.43 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD48116
Formula: C3H7ON
Smiles:
CN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
