Glycoside
GD099236
Name:
NoneFormula:
C14H14O7NCl2SBrSmiles:
O=C[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
NS(=O)(=O)c1c(Cl)cc(Br)cc1ClSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 467.12 | Num_heavy_atoms: | 24 |
| TPSA: | 144.16 | 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 |
