GD106647

Name:

None

Formula:

C25H48O17N7P3S

Smiles:

CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O[PH](O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)[C@@H](O[PH](O)(O)O)[C@H]1O

Aglycone:

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

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• ZINC000198054614

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

AD44196

Formula: C9H10ON5

Smiles:

CCCC(=O)Nc1ncnc2c1N=C[N]2

HBA:	6	RingCount:	2
HBD:	1	FractionCSP3:	0.33
AlogP:	1.12	Num_rotatable_bonds:	3
MolWt:	204.21	Num_heavy_atoms:	15
TPSA:	81.34	NumAromaticRings:	1