GD037094

Name:

None

Formula:

C29H34O12N12S

Smiles:

COc1ccc(S(=O)(=O)N(CCO[C@@H]2[C@H](O)[C@H](CO)O[C@H]2n2cnc3c(N)ncnc32)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1

Aglycone:

COc1ccc(S(=O)(=O)N(C)CCO)c([N+](=O)[O-])c1.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OOC(O)C1O.OCOC1C(O)OC(CO)C1O

Other Identifiers

• CHEMBL4780071

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD23392

Formula: C10H14O6N2S

Smiles:

COc1ccc(S(=O)(=O)N(C)CCO)c([N+](=O)[O-])c1

HBA:	8	RingCount:	1
HBD:	1	FractionCSP3:	0.4
AlogP:	0.22	Num_rotatable_bonds:	6
MolWt:	290.3	Num_heavy_atoms:	19
TPSA:	109.98	NumAromaticRings:	1