GD108018

Name:

None

Formula:

C24H21O11NCl2

Smiles:

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1NC(=O)c2cc(Cl)c(Cl)cc21

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

• ZINC000060272898

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

AD44386

Formula: C10H3O2NCl2

Smiles:

O=C1NC(=O)c2cc(Cl)c(Cl)cc21

HBA:	3	RingCount:	2
HBD:	1	FractionCSP3:	0.0
AlogP:	1.88	Num_rotatable_bonds:	0
MolWt:	216.02	Num_heavy_atoms:	13
TPSA:	46.17	NumAromaticRings:	1