GD016572

Name:

None

Formula:

C39H34O13N5ClS2

Smiles:

CC(=O)OC[C@@H]1O[C@H](Sc2c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c(=O)n2-c2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.Cc1noc(NS(=O)(=O)c2ccc(-n3c(S)c(C#N)c(-c4ccc(Cl)cc4)c(C#N)c3=O)cc2)c1C

Sugarmoiety:

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

Other Identifiers

• CHEMBL3323278

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

AD11917

Formula: C25H16O4N5ClS2

Smiles:

Cc1noc(NS(=O)(=O)c2ccc(-n3c(S)c(C#N)c(-c4ccc(Cl)cc4)c(C#N)c3=O)cc2)c1C

HBA:	9	RingCount:	4
HBD:	1	FractionCSP3:	0.08
AlogP:	4.6	Num_rotatable_bonds:	5
MolWt:	538.01	Num_heavy_atoms:	36
TPSA:	141.78	NumAromaticRings:	4