GD032620

Name:

None

Formula:

C25H32O12N4S

Smiles:

COc1cccc(N(Cc2cn([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)nn2)S(C)(=O)=O)c1

Aglycone:

COC(C)=O.COc1cccc(N(CC2=C[N]N=N2)S(C)(=O)=O)c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4100809

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

AD20740

Formula: C11H13O3N4S

Smiles:

COc1cccc(N(CC2=C[N]N=N2)S(C)(=O)=O)c1

HBA:	7	RingCount:	2
HBD:	0	FractionCSP3:	0.27
AlogP:	1.29	Num_rotatable_bonds:	5
MolWt:	281.32	Num_heavy_atoms:	19
TPSA:	85.43	NumAromaticRings:	1