GD105945

Name:

None

Formula:

C21H31O15N6P2

Smiles:

NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O[PH](O)(O)O[PH](O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]cnc54)[C@H](O)[C@@H]3O)[C@H]2O)c1

Aglycone:

CO[PH](O)(O)O[PH](O)(O)O.NC(=O)c1ccc[nH+]c1.O=c1[nH]cnc2c1N=C[N]2

Sugarmoiety:

OCC1OC(O)C(O)C1O.OCC1OC(O)C(O)O1

Other Identifiers

• ZINC000238791513

AD00069

Formula: C6H7ON2

Smiles:

NC(=O)c1ccc[nH+]c1

HBA:	3	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.4	Num_rotatable_bonds:	1
MolWt:	123.13	Num_heavy_atoms:	9
TPSA:	57.23	NumAromaticRings:	1

AD01144

Formula: C5H3ON4

Smiles:

O=c1[nH]cnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	1	FractionCSP3:	0.0
AlogP:	-0.32	Num_rotatable_bonds:	0
MolWt:	135.11	Num_heavy_atoms:	10
TPSA:	72.21	NumAromaticRings:	1

AD36283

Formula: CH10O7P2

Smiles:

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

HBA:	7	RingCount:	0
HBD:	5	FractionCSP3:	1.0
AlogP:	-1.57	Num_rotatable_bonds:	3
MolWt:	196.03	Num_heavy_atoms:	10
TPSA:	119.61	NumAromaticRings:	0