Glycoside
GD092290
Name:
NoneFormula:
C11H13O7NClS2BrSmiles:
O=C[C@H](NS(=O)(=O)c1cc(Br)c(Cl)s1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
NS(=O)(=O)c1cc(Br)c(Cl)s1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 438.71 | Num_heavy_atoms: | 22 |
| TPSA: | 144.16 | 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 |
