GD021770

Name:

None

Formula:

C30H32O11N2S

Smiles:

COc1ccc(-c2c(C(C)=O)c(C)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1

Aglycone:

COC(C)=O.COc1ccc(-c2c(C(C)=O)c(C)[nH]c(=S)c2C#N)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1994080

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

AD11742

Formula: C16H14O2N2S

Smiles:

COc1ccc(-c2c(C(C)=O)c(C)[nH]c(=S)c2C#N)cc1

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.19
AlogP:	3.8	Num_rotatable_bonds:	3
MolWt:	298.37	Num_heavy_atoms:	21
TPSA:	65.88	NumAromaticRings:	2