GD026148

Name:

None

Formula:

C21H30O13N4S

Smiles:

COC(=O)CN(Cc1cn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)nn1)S(C)(=O)=O

Aglycone:

COC(=O)CN(CC1=C[N]N=N1)S(C)(=O)=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4077181

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

AD17260

Formula: C7H11O4N4S

Smiles:

COC(=O)CN(CC1=C[N]N=N1)S(C)(=O)=O

HBA:	8	RingCount:	1
HBD:	0	FractionCSP3:	0.57
AlogP:	-0.75	Num_rotatable_bonds:	5
MolWt:	247.26	Num_heavy_atoms:	16
TPSA:	102.5	NumAromaticRings:	0