GD105862

Name:

None

Formula:

C21H35O16N7P3S

Smiles:

NC(=S)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(N)ncnc54)[C@H](O[PH](O)(O)O)[C@@H]3O)[C@H]2O)c1

Aglycone:

CO[PH](O)(O)O[PH](O)(O)O.NC(=S)c1ccc[nH+]c1.Nc1ncnc2c1N=C[N]2.O[PH](O)(O)O

Sugarmoiety:

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

Other Identifiers

• ZINC000299888523

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD00494

Formula: C6H7N2S

Smiles:

NC(=S)c1ccc[nH+]c1

HBA:	2	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	0.13	Num_rotatable_bonds:	1
MolWt:	139.2	Num_heavy_atoms:	9
TPSA:	40.16	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

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