GD106086

Name:

None

Formula:

C21H42O16N7P3S

Smiles:

CC(C)(CO[PH](O)(O)O[PH](O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O[PH](O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS

Aglycone:

CO[PH](O)(O)O[PH](O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1N=C[N]2.O[PH](O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• ZINC000008551087

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

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

AD44089

Formula: C12H30O10N2P2S

Smiles:

CO[PH](O)(O)O[PH](O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS

HBA:	12	RingCount:	0
HBD:	7	FractionCSP3:	0.83
AlogP:	-1.61	Num_rotatable_bonds:	13
MolWt:	456.39	Num_heavy_atoms:	27
TPSA:	187.04	NumAromaticRings:	0