Glycoside
GD096264
Name:
NoneFormula:
C12H12O7NCl2S2BrSmiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1c(Cl)sc(Cl)c1BrAglycone:
NS(=O)(=O)c1c(Cl)sc(Cl)c1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 473.15 | Num_heavy_atoms: | 23 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD40940
Formula: C6H2O2NCl2S2Br
Smiles:
NS(=O)(=O)c1c(Cl)sc(Cl)c1Br| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 311.01 | Num_heavy_atoms: | 12 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
