Glycoside
GD096306
Name:
NoneFormula:
C19H22O9N2S2Smiles:
COC(=O)c1cncc(S(=O)(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)c1Aglycone:
COC(=O)c1cncc(S(=O)(=O)Nc2ccc(S)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.52 | Num_heavy_atoms: | 32 |
| TPSA: | 175.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD40956
Formula: C13H12O4N2S2
Smiles:
COC(=O)c1cncc(S(=O)(=O)Nc2ccc(S)cc2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.38 | Num_heavy_atoms: | 21 |
| TPSA: | 85.36 | NumAromaticRings: | 2 |
