GD114129

Name:

None

Formula:

C38H34O10N2S

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1cccc2ccccc12.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000082186343

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

AD08837

Formula: C24H16ON2S

Smiles:

CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1cccc2ccccc12

HBA:	3	RingCount:	4
HBD:	1	FractionCSP3:	0.04
AlogP:	6.31	Num_rotatable_bonds:	3
MolWt:	380.47	Num_heavy_atoms:	28
TPSA:	56.65	NumAromaticRings:	4