GD031297

Name:

None

Formula:

C30H34O11NCl

Smiles:

CCCCN1C(=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:

CCCCN1C(=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

• CHEMBL4567399

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

AD20176

Formula: C16H16O2NCl

Smiles:

CCCCN1C(=O)C(=CC(C)=O)c2cc(Cl)ccc21

HBA:	3	RingCount:	2
HBD:	0	FractionCSP3:	0.33
AlogP:	3.46	Num_rotatable_bonds:	4
MolWt:	277.75	Num_heavy_atoms:	19
TPSA:	37.38	NumAromaticRings:	1