GD022290

Name:

None

Formula:

C22H30O20N11P4

Smiles:

CO[C@@H]1[C@H](O)[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])NP(=O)([O-])OC[C@@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@H]2O)O[C@H]1n1c[n+](C)c2c(=O)[nH]c(N)nc21

Aglycone:

COP(=O)([O-])NP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC.C[N+]1=C[N]c2nc(N)[nH]c(=O)c21.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

COC1C(O)OC(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3350625

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

AD15129

Formula: C2H7O12NP4

Smiles:

COP(=O)([O-])NP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC

HBA:	13	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-2.22	Num_rotatable_bonds:	8
MolWt:	360.97	Num_heavy_atoms:	19
TPSA:	209.47	NumAromaticRings:	0