Glycoside
GD000341
Name:
NoneFormula:
C13H20O9N2S2Smiles:
NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
NS(=O)(=O)c1ccc(CN[S](=O)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -3.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.44 | Num_heavy_atoms: | 26 |
| TPSA: | 196.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD00388
Formula: C7H9O4N2S2
Smiles:
NS(=O)(=O)c1ccc(CN[S](=O)=O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 249.29 | Num_heavy_atoms: | 15 |
| TPSA: | 106.33 | NumAromaticRings: | 1 |
