GD110631

Name:

None

Formula:

C30H28O11N2

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccc3)cc(-c3ccco3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.N#Cc1c(-c2ccco2)cc(-c2ccccc2)[nH]c1=O

Sugarmoiety:

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

Other Identifiers

• ZINC000005808674

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

AD08190

Formula: C16H10O2N2

Smiles:

N#Cc1c(-c2ccco2)cc(-c2ccccc2)[nH]c1=O

HBA:	4	RingCount:	3
HBD:	1	FractionCSP3:	0.0
AlogP:	3.17	Num_rotatable_bonds:	2
MolWt:	262.27	Num_heavy_atoms:	20
TPSA:	69.79	NumAromaticRings:	3