GD010832

Name:

None

Formula:

C27H28O11N2S

Smiles:

CC(=O)OCC1OC(n2c(C)c(C(C)=O)c(-c3ccco3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1983069

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

AD08313

Formula: C13H10O2N2S

Smiles:

CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.15
AlogP:	3.39	Num_rotatable_bonds:	2
MolWt:	258.3	Num_heavy_atoms:	18
TPSA:	69.79	NumAromaticRings:	2