GD105683

Name:

None

Formula:

C27H50O20N7P3S

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)NCCSC(=O)C[C@@](C)(O)CC(=O)O

Aglycone:

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

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• ZINC000096014520

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

AD44063

Formula: C18H38O14N2P2S

Smiles:

CO[PH](O)(O)O[PH](O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)(O)CC(=O)O

HBA:	16	RingCount:	0
HBD:	9	FractionCSP3:	0.78
AlogP:	-1.66	Num_rotatable_bonds:	18
MolWt:	600.52	Num_heavy_atoms:	37
TPSA:	261.64	NumAromaticRings:	0