GD005146

Name:

None

Formula:

C22H31O13N10P3S3

Smiles:

Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=S)(S)OCP(=O)(O)COP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

COP(O)(=S)OCP(=O)(O)COP(=S)(S)OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

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

Other Identifiers

• CHEMBL1160270

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

AD04399

Formula: C4H13O7P3S3

Smiles:

COP(O)(=S)OCP(=O)(O)COP(=S)(S)OC

HBA:	7	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	1.87	Num_rotatable_bonds:	8
MolWt:	362.26	Num_heavy_atoms:	17
TPSA:	94.45	NumAromaticRings:	0