GD012114

Name:

None

Formula:

C44H58O25N20P4

Smiles:

Nc1ncnc2c1ncn2[C@H]1O[C@@H](COCP(=O)(O)O[C@@H]2[C@@H](O)[C@@H](COCP(=O)(O)O)O[C@H]2n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OP(=O)(O)COC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OP(=O)(O)COC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:

COCP(=O)(O)O.COCP(=O)(O)O.COCP(=O)(O)O.COCP(=O)(O)O.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

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

Other Identifiers

• CHEMBL2058486

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

AD01581

Formula: C2H7O4P

Smiles:

COCP(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.23	Num_rotatable_bonds:	2
MolWt:	126.05	Num_heavy_atoms:	7
TPSA:	66.76	NumAromaticRings:	0