GD096135

Name:

None

Formula:

C22H28O7N6

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N4CC5(CN(C)C5)C4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CN1CC2(C1)CN(c1ncnc3c1N=C[N]3)C2.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001158864713

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

AD40890

Formula: C11H13N6

Smiles:

CN1CC2(C1)CN(c1ncnc3c1N=C[N]3)C2

HBA:	6	RingCount:	4
HBD:	0	FractionCSP3:	0.55
AlogP:	0.14	Num_rotatable_bonds:	1
MolWt:	229.27	Num_heavy_atoms:	17
TPSA:	58.72	NumAromaticRings:	1