Glycoside
GD096104
Name:
NoneFormula:
C14H14O7NCl2SBrSmiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1c(Cl)cc(Br)cc1ClAglycone:
NS(=O)(=O)c1c(Cl)cc(Br)cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 467.12 | Num_heavy_atoms: | 24 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD40873
Formula: C8H4O2NCl2SBr
Smiles:
NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.98 | Num_heavy_atoms: | 13 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
