Glycoside
GD089322
Name:
NoneFormula:
C11H13O7NClS2BrSmiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(Br)c(Cl)s1Aglycone:
NS(=O)(=O)c1cc(Br)c(Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.71 | Num_heavy_atoms: | 22 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD38957
Formula: C5H3O2NClS2Br
Smiles:
NS(=O)(=O)c1cc(Br)c(Cl)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.56 | Num_heavy_atoms: | 11 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
