GD008530

Name:

None

Formula:

C35H36O11N2

Smiles:

CC(=O)OC[C@@H]1O[C@H](CC(=O)C=Cc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)C=Cc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3329581

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

AD06807

Formula: C21H18O2N2

Smiles:

CC(=O)C=Cc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1

HBA:	4	RingCount:	3
HBD:	2	FractionCSP3:	0.05
AlogP:	5.09	Num_rotatable_bonds:	4
MolWt:	330.39	Num_heavy_atoms:	25
TPSA:	58.2	NumAromaticRings:	3