GD010112

Name:

None

Formula:

C25H32O11N4S

Smiles:

CCS(=O)(=O)N(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)c1ccccc1

Aglycone:

CCS(=O)(=O)N(CC1=C[N]N=N1)c1ccccc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4064006

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

AD07852

Formula: C11H13O2N4S

Smiles:

CCS(=O)(=O)N(CC1=C[N]N=N1)c1ccccc1

HBA:	6	RingCount:	2
HBD:	0	FractionCSP3:	0.27
AlogP:	1.67	Num_rotatable_bonds:	5
MolWt:	265.32	Num_heavy_atoms:	18
TPSA:	76.2	NumAromaticRings:	1