Glycoside
GD025441
Name:
NoneFormula:
C14H17O6N2F3SSmiles:
O=C(NC[C@]1(O)CO[C@H](CNS(=O)(=O)C(F)(F)F)[C@H]1O)c1ccccc1Aglycone:
CNC(=O)c1ccccc1.CNS(=O)(=O)C(F)(F)FSugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.36 | Num_heavy_atoms: | 26 |
| TPSA: | 124.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD16866
Formula: C2H4O2NF3S
Smiles:
CNS(=O)(=O)C(F)(F)F| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.12 | Num_heavy_atoms: | 9 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
