Glycoside
GD030333
Name:
NoneFormula:
C11H17O7NS2Smiles:
CO[C@@H]1O[C@H](CNS(=O)(=O)c2cccs2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1cccs1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 339.39 | Num_heavy_atoms: | 21 |
| TPSA: | 125.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD19627
Formula: C5H7O2NS2
Smiles:
CNS(=O)(=O)c1cccs1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.25 | Num_heavy_atoms: | 10 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
