Glycoside
GD037755
Name:
n-{[(2e)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-d-glucopyranosylamineFormula:
C15H18O5N3F3SSmiles:
OC[C@H]1O[C@H](NC(=S)NN=Cc2ccc(C(F)(F)F)cc2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
NC(=S)NN=Cc1ccc(C(F)(F)F)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 409.39 | Num_heavy_atoms: | 27 |
| TPSA: | 126.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD00802
Formula: C9H8N3F3S
Smiles:
NC(=S)NN=Cc1ccc(C(F)(F)F)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 247.24 | Num_heavy_atoms: | 16 |
| TPSA: | 50.41 | NumAromaticRings: | 1 |
