Glycoside
GD011267
Name:
NoneFormula:
C14H20O6N2SSmiles:
CS(=O)(=O)NC[C@@H]1OC[C@](O)(CNC(=O)c2ccccc2)[C@H]1OAglycone:
CNC(=O)c1ccccc1.CNS(C)(=O)=OSugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.39 | Num_heavy_atoms: | 23 |
| 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 |
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 |
