GD031478

Name:

None

Formula:

C26H26O11NCl

Smiles:

CC(=O)OC[C@@H]1O[C@H](CC(=O)C=C2C(=O)Nc3ccc(Cl)cc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)C=C1C(=O)Nc2ccc(Cl)cc21.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4474414

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

AD20272

Formula: C12H8O2NCl

Smiles:

CC(=O)C=C1C(=O)Nc2ccc(Cl)cc21

HBA:	3	RingCount:	2
HBD:	1	FractionCSP3:	0.09
AlogP:	2.26	Num_rotatable_bonds:	1
MolWt:	221.64	Num_heavy_atoms:	15
TPSA:	46.17	NumAromaticRings:	1