GD031298

Name:

None

Formula:

C29H32O11NCl

Smiles:

CCCN1C(=O)C(=CC(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2cc(Cl)ccc21

Aglycone:

CCCN1C(=O)C(=CC(C)=O)c2cc(Cl)ccc21.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4472430

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

AD20177

Formula: C15H14O2NCl

Smiles:

CCCN1C(=O)C(=CC(C)=O)c2cc(Cl)ccc21

HBA:	3	RingCount:	2
HBD:	0	FractionCSP3:	0.29
AlogP:	3.07	Num_rotatable_bonds:	3
MolWt:	263.72	Num_heavy_atoms:	18
TPSA:	37.38	NumAromaticRings:	1