GD106629

Name:

None

Formula:

C19H25O10N5S

Smiles:

CCS[C@H]([C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](O)[C@H](O)[C@H](O)CO)n1cc(C)c(=O)[nH]c1=O

Aglycone:

CCSC(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])n1cc(C)c(=O)[nH]c1=O

Sugarmoiety:

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

Other Identifiers

• ZINC000004822906

AD44194

Formula: C15H17O6N5S

Smiles:

CCSC(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])n1cc(C)c(=O)[nH]c1=O

HBA:	11	RingCount:	2
HBD:	2	FractionCSP3:	0.33
AlogP:	2.03	Num_rotatable_bonds:	8
MolWt:	395.4	Num_heavy_atoms:	27
TPSA:	153.17	NumAromaticRings:	2