GD028405

Name:

None

Formula:

C33H41O23N8P2

Smiles:

CC(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OCc3cn([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)nn3)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]1

Aglycone:

CC(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2.COC(C)=O.COP(=O)([O-])OP(=O)(O)OCC1=C[N]N=N1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

• CHEMBL3343361

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD02712

Formula: C7H6O2N5

Smiles:

CC(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2

HBA:	7	RingCount:	2
HBD:	2	FractionCSP3:	0.14
AlogP:	-0.36	Num_rotatable_bonds:	1
MolWt:	192.16	Num_heavy_atoms:	14
TPSA:	101.31	NumAromaticRings:	1

AD15408

Formula: C4H7O7N3P2

Smiles:

COP(=O)([O-])OP(=O)(O)OCC1=C[N]N=N1

HBA:	10	RingCount:	1
HBD:	1	FractionCSP3:	0.5
AlogP:	0.06	Num_rotatable_bonds:	6
MolWt:	271.06	Num_heavy_atoms:	16
TPSA:	143.94	NumAromaticRings:	0