GD001678

Name:

None

Formula:

C29H31O11N12ClS

Smiles:

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCO[C@@H]2[C@H](O)[C@H](CO)O[C@H]2n2cnc3c(N)ncnc32)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](O)[C@H]1O

Aglycone:

CN(CCO)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4793508

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

AD01657

Formula: C10H11O5N2ClS

Smiles:

CN(CCO)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1

HBA:	7	RingCount:	1
HBD:	1	FractionCSP3:	0.33
AlogP:	0.86	Num_rotatable_bonds:	5
MolWt:	294.72	Num_heavy_atoms:	18
TPSA:	100.75	NumAromaticRings:	1