GD013115

Name:

None

Formula:

C30H48O24N10P4S4

Smiles:

Nc1nc(O)c2nc(SCCS(=O)(=O)CCCCCCS(=O)(=O)CCSc3nc4c(N)ncnc4n3C3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)n(C3CC(O)[C@H](COP(=O)(O)OP(=O)(O)O)O3)c2n1

Aglycone:

COP(=O)(O)OP(=O)(O)O.Nc1nc(O)c2nc(SCCS(=O)(=O)CCCCCCS(=O)(=O)CCSC3=Nc4c(N)ncnc4[N]3)n(C3CC(O)C(COP(=O)(O)OP(=O)(O)O)O3)c2n1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL610862

AD00305

Formula: CH6O7P2

Smiles:

COP(=O)(O)OP(=O)(O)O

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.16	Num_rotatable_bonds:	3
MolWt:	192.0	Num_heavy_atoms:	10
TPSA:	113.29	NumAromaticRings:	0

AD09830

Formula: C25H37O14N10P2S4

Smiles:

Nc1nc(O)c2nc(SCCS(=O)(=O)CCCCCCS(=O)(=O)CCSC3=Nc4c(N)ncnc4[N]3)n(C3CC(O)C(COP(=O)(O)OP(=O)(O)O)O3)c2n1

HBA:	24	RingCount:	5
HBD:	9	FractionCSP3:	0.6
AlogP:	0.51	Num_rotatable_bonds:	20
MolWt:	891.84	Num_heavy_atoms:	55
TPSA:	379.14	NumAromaticRings:	3