GD109894

Name:

None

Formula:

C22H23O9NF6

Smiles:

CC(=O)N[C@@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1

Sugarmoiety:

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000245225652

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

AD40378

Formula: C8H4OF6

Smiles:

Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.25
AlogP:	3.43	Num_rotatable_bonds:	0
MolWt:	230.11	Num_heavy_atoms:	15
TPSA:	20.23	NumAromaticRings:	1