Glycoside

GD106394
Name:
6-(4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C19H19O11N2ClSSmiles:
NS(=O)(=O)c1cc(C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O)c(NCc2ccco2)cc1ClAglycone:
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1ClSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.33 |
AlogP: | -0.76 | Num_rotatable_bonds: | 7 |
MolWt: | 506.87 | Num_heavy_atoms: | 33 |
TPSA: | 218.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD44172
Formula: C13H11O5N2ClS
Smiles:
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1ClHBA: | 7 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.08 |
AlogP: | 1.89 | Num_rotatable_bonds: | 5 |
MolWt: | 330.75 | Num_heavy_atoms: | 21 |
TPSA: | 122.63 | NumAromaticRings: | 2 |