Glycoside
GD088479
Name:
NoneFormula:
C12H14O7N2ClSBrSmiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cnc(Cl)c(Br)c1Aglycone:
NS(=O)(=O)c1cnc(Cl)c(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 433.66 | Num_heavy_atoms: | 23 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD38705
Formula: C6H4O2N2ClSBr
Smiles:
NS(=O)(=O)c1cnc(Cl)c(Br)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 271.52 | Num_heavy_atoms: | 12 |
| TPSA: | 73.05 | NumAromaticRings: | 1 |
