GD004427

Name:

None

Formula:

C26H37O16N10P4ClS4

Smiles:

CNc1nc(SC)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(NC)nc(SC)nc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CNc1nc(SC)nc2c1N=C[N]2.CNc1nc(SC)nc2c1N=C[N]2.COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC

Sugarmoiety:

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

Other Identifiers

• CHEMBL3747878

AD03334

Formula: C4H11O10P4ClS2

Smiles:

COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC

HBA:	10	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	3.28	Num_rotatable_bonds:	8
MolWt:	430.59	Num_heavy_atoms:	20
TPSA:	145.66	NumAromaticRings:	0

AD03868

Formula: C7H8N5S

Smiles:

CNc1nc(SC)nc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	1	FractionCSP3:	0.29
AlogP:	1.15	Num_rotatable_bonds:	2
MolWt:	194.24	Num_heavy_atoms:	13
TPSA:	64.27	NumAromaticRings:	1