GD019776

Name:

None

Formula:

C32H30O10N2

Smiles:

CC(=O)OCC1OC(n2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1997378

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

AD13432

Formula: C18H12ON2

Smiles:

N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=O

HBA:	3	RingCount:	3
HBD:	1	FractionCSP3:	0.0
AlogP:	3.58	Num_rotatable_bonds:	2
MolWt:	272.31	Num_heavy_atoms:	21
TPSA:	56.65	NumAromaticRings:	3