GD106142

Name:

None

Formula:

C21H33O17N7P3

Smiles:

NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O[PH](O)(O)O[PH](O)(O)OC[C@H](C=O)O[C@H](C=O)n3cnc4c(N)ncnc43)[C@H]2O[PH](O)(O)O)c1

Aglycone:

NC(=O)c1ccc[nH+]c1.Nc1ncnc2c1ncn2C(C=O)OC(C=O)CO[PH](O)(O)O[PH](O)(O)O.O[PH](O)(O)O

Sugarmoiety:

OCC1OC(O)C(O)C1O

Other Identifiers

• ZINC000238791512

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

AD24820

Formula: H5O4P

Smiles:

O[PH](O)(O)O

HBA:	4	RingCount:	0
HBD:	4	FractionCSP3:	0.0
AlogP:	-1.63	Num_rotatable_bonds:	0
MolWt:	100.01	Num_heavy_atoms:	5
TPSA:	80.92	NumAromaticRings:	0

AD44120

Formula: C10H17O10N5P2

Smiles:

Nc1ncnc2c1ncn2C(C=O)OC(C=O)CO[PH](O)(O)O[PH](O)(O)O

HBA:	15	RingCount:	2
HBD:	7	FractionCSP3:	0.3
AlogP:	-2.5	Num_rotatable_bonds:	10
MolWt:	429.22	Num_heavy_atoms:	27
TPSA:	232.6	NumAromaticRings:	2