GD105884

Name:

None

Formula:

C21H36O18N10P3

Smiles:

C[n+]1cn([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21

Aglycone:

CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OC.C[N+]1=C[N]c2nc(N)[nH]c(=O)c21.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

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

Other Identifiers

• ZINC001529045138

AD00207

Formula: C5H4ON5

Smiles:

Nc1nc2c(c(=O)[nH]1)N=C[N]2

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.74	Num_rotatable_bonds:	0
MolWt:	150.12	Num_heavy_atoms:	11
TPSA:	98.23	NumAromaticRings:	1

AD02176

Formula: C6H7ON5

Smiles:

C[N+]1=C[N]c2nc(N)[nH]c(=O)c21

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.17
AlogP:	-1.1	Num_rotatable_bonds:	0
MolWt:	165.16	Num_heavy_atoms:	12
TPSA:	88.88	NumAromaticRings:	1

AD44054

Formula: C2H15O10P3

Smiles:

CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OC

HBA:	10	RingCount:	0
HBD:	6	FractionCSP3:	1.0
AlogP:	-1.5	Num_rotatable_bonds:	6
MolWt:	292.05	Num_heavy_atoms:	15
TPSA:	158.3	NumAromaticRings:	0