GD008028

Name:

None

Formula:

C31H48O18N7P3

Smiles:

CCCCCCCCC1C(O)NC(=O)C2=CN([C@@H]3O[C@H](COP(=O)(O)O[C@@H]4[C@H](COP(=O)(O)OP(=O)(O)O)O[C@H](n5cnc6c(N)ncnc65)[C@H]4O)[C@H](O)[C@H]3O)C=C[C@H]21

Aglycone:

CCCCCCCCC1C(O)NC(=O)C2=CNC=CC21.COP(=O)(O)O.COP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3251376

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

AD00079

Formula: CH5O4P

Smiles:

COP(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.27	Num_rotatable_bonds:	1
MolWt:	112.02	Num_heavy_atoms:	6
TPSA:	66.76	NumAromaticRings:	0

AD00305

Formula: CH6O7P2

Smiles:

COP(=O)(O)OP(=O)(O)O

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.16	Num_rotatable_bonds:	3
MolWt:	192.0	Num_heavy_atoms:	10
TPSA:	113.29	NumAromaticRings:	0

AD06462

Formula: C16H26O2N2

Smiles:

CCCCCCCCC1C(O)NC(=O)C2=CNC=CC21

HBA:	4	RingCount:	2
HBD:	3	FractionCSP3:	0.69
AlogP:	2.42	Num_rotatable_bonds:	7
MolWt:	278.4	Num_heavy_atoms:	20
TPSA:	61.36	NumAromaticRings:	0