GD002371

Name:

None

Formula:

C39H50O23N20P4

Smiles:

Nc1ncnc2c1ncn2C[C@H](OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](CO[PH](=O)O[C@@H]2[C@H](O)[C@H](COP(=O)(O)O)O[C@H]2n2cnc3c(N)ncnc32)O[C@H]1n1cnc2c(N)ncnc21

Aglycone:

COP(=O)(O)O.COP(=O)(O)OC(Cn1cnc2c(N)ncnc21)C(O)COP(=O)(O)O.CO[PH](=O)O.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

Other Identifiers

• CHEMBL1161683

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

AD00079

Formula: CH5O4P

Smiles:

COP(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.27	Num_rotatable_bonds:	1
MolWt:	112.02	Num_heavy_atoms:	6
TPSA:	66.76	NumAromaticRings:	0

AD02266

Formula: C10H17O9N5P2

Smiles:

COP(=O)(O)OC(Cn1cnc2c(N)ncnc21)C(O)COP(=O)(O)O

HBA:	14	RingCount:	2
HBD:	6	FractionCSP3:	0.5
AlogP:	-0.99	Num_rotatable_bonds:	9
MolWt:	413.22	Num_heavy_atoms:	26
TPSA:	212.37	NumAromaticRings:	2

AD02267

Formula: CH5O3P

Smiles:

CO[PH](=O)O

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	0.01	Num_rotatable_bonds:	1
MolWt:	96.02	Num_heavy_atoms:	5
TPSA:	46.53	NumAromaticRings:	0