GD025459

Name:

None

Formula:

C32H44O18N12P2

Smiles:

CC(=O)N[C@H]1[C@H](O)[C@@H](n2cnc3c(N(C)C)ncnc32)O[C@H]1COP(=O)(O)O[C@@H]1[C@H](COP(=O)(O)O[C@@H]2[C@H](CO)O[C@H](n3ccc(N)nc3=O)[C@H]2O)O[C@H](n2ccc(N)nc2=O)[C@H]1O

Aglycone:

CC(=O)NC1C(COP(=O)(O)O)OC(n2cnc3c(N(C)C)ncnc32)C1O.COP(=O)(O)O.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1

Sugarmoiety:

OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2368792

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

AD00115

Formula: C4H5ON3

Smiles:

Nc1cc[nH]c(=O)n1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	111.1	Num_heavy_atoms:	8
TPSA:	71.77	NumAromaticRings:	1

AD16877

Formula: C14H21O7N6P

Smiles:

CC(=O)NC1C(COP(=O)(O)O)OC(n2cnc3c(N(C)C)ncnc32)C1O

HBA:	13	RingCount:	3
HBD:	4	FractionCSP3:	0.57
AlogP:	-1.24	Num_rotatable_bonds:	6
MolWt:	416.33	Num_heavy_atoms:	28
TPSA:	172.16	NumAromaticRings:	2