GD005462

Name:

SODIUM GLUCOSULFONE

Formula:

C24H34O18N2S3

Smiles:

O=S(=O)(c1ccc(NC([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)[O-])cc1)c1ccc(NC([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)[O-])cc1

Aglycone:

O=S(=O)([O-])CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)(=O)[O-])cc2)cc1

Sugarmoiety:

OCC(O)C(O)C(O)C(O)O.OCC(O)C(O)C(O)C(O)O

Other Identifiers

• CHEMBL3989539

AD04641

Formula: C14H14O8N2S3

Smiles:

O=S(=O)([O-])CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)(=O)[O-])cc2)cc1

HBA:	10	RingCount:	2
HBD:	2	FractionCSP3:	0.14
AlogP:	0.35	Num_rotatable_bonds:	8
MolWt:	434.47	Num_heavy_atoms:	27
TPSA:	172.6	NumAromaticRings:	2