GD007548

Name:

None

Formula:

C36H36O12N2S

Smiles:

CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1

Aglycone:

CCOC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(OC)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1972136

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

AD00549

Formula: C22H18O3N2S

Smiles:

CCOC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(OC)cc1

HBA:	5	RingCount:	3
HBD:	1	FractionCSP3:	0.14
AlogP:	5.14	Num_rotatable_bonds:	5
MolWt:	390.46	Num_heavy_atoms:	28
TPSA:	75.11	NumAromaticRings:	3