GD033654

Name:

None

Formula:

C29H31O11N12F3S

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(C(F)(F)F)cc2[N+](=O)[O-])[C@H](O)[C@H]1O

Aglycone:

CN(CCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

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

Other Identifiers

• CHEMBL4798931

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

AD21461

Formula: C10H11O5N2F3S

Smiles:

CN(CCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

HBA:	7	RingCount:	1
HBD:	1	FractionCSP3:	0.4
AlogP:	1.23	Num_rotatable_bonds:	5
MolWt:	328.27	Num_heavy_atoms:	21
TPSA:	100.75	NumAromaticRings:	1