GD105696

Name:

None

Formula:

C21H33O16N7P3

Smiles:

NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H]4O[PH](O)(O)O[C@H]34)[C@@H](O)[C@H]2O)c1

Aglycone:

CO[PH](O)(O)O[PH](O)(O)OCC1OC(n2cnc3c(N)ncnc32)C2O[PH](O)(O)OC12.NC(=O)c1ccc[nH+]c1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• ZINC000085534368

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

AD44064

Formula: C11H22O12N5P3

Smiles:

CO[PH](O)(O)O[PH](O)(O)OCC1OC(n2cnc3c(N)ncnc32)C2O[PH](O)(O)OC12

HBA:	17	RingCount:	4
HBD:	8	FractionCSP3:	0.55
AlogP:	-2.05	Num_rotatable_bonds:	7
MolWt:	509.24	Num_heavy_atoms:	31
TPSA:	246.38	NumAromaticRings:	2