GD002958

Name:

None

Formula:

C21H33O16N7P3S

Smiles:

CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OP(=O)([O-])O)C(O)C(=O)NCCC(=O)NCCS

Aglycone:

COP(=O)([O-])OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1N=C[N]2.O=P([O-])(O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL1514243

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

AD00190

Formula: H2O4P

Smiles:

O=P([O-])(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-1.56	Num_rotatable_bonds:	0
MolWt:	96.99	Num_heavy_atoms:	5
TPSA:	80.59	NumAromaticRings:	0

AD02750

Formula: C12H24O10N2P2S

Smiles:

COP(=O)([O-])OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS

HBA:	12	RingCount:	0
HBD:	3	FractionCSP3:	0.83
AlogP:	-1.46	Num_rotatable_bonds:	13
MolWt:	450.34	Num_heavy_atoms:	27
TPSA:	186.38	NumAromaticRings:	0