Glycoside
GD122099
Name:
1-{[3,4-dihydroxy-5-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)oxolan-2-yl]methyl}-3-(propan-2-yl)ureaFormula:
C19H23O6N4F3Smiles:
CC(C)NC(O)=NCC1OC(Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)C(O)C1OAglycone:
CN=C(O)NC(C)C.Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.41 | Num_heavy_atoms: | 32 |
| TPSA: | 142.46 | 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 |
AD46637
Formula: C5H12ON2
Smiles:
CN=C(O)NC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
