GD030798

Name:

None

Formula:

C22H31O18N10P3

Smiles:

C[n+]1cn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4c[n+](C)c5c([O-])nc(N)nc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c2nc(N)nc([O-])c21

Aglycone:

COP(=O)(O)OP(=O)(O)OP(=O)(O)OC.C[N+]1=C[N]c2nc(N)nc([O-])c21.C[N+]1=C[N]c2nc(N)nc([O-])c21

Sugarmoiety:

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

Other Identifiers

• CHEMBL3604556

AD02306

Formula: C2H9O10P3

Smiles:

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

HBA:	10	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	0.61	Num_rotatable_bonds:	6
MolWt:	286.01	Num_heavy_atoms:	15
TPSA:	148.82	NumAromaticRings:	0

AD03635

Formula: C6H6ON5

Smiles:

C[N+]1=C[N]c2nc(N)nc([O-])c21

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.17
AlogP:	-1.32	Num_rotatable_bonds:	0
MolWt:	164.15	Num_heavy_atoms:	12
TPSA:	91.97	NumAromaticRings:	1