GD021681

Name:

None

Formula:

C41H43O12NF2

Smiles:

C=C(C)O[C@H]1[C@H](COC(C)=O)O[C@@H](Oc2ccc([C@@H]3[C@H](CC[C@H](OC(C)=O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)OC(CCC1C(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1)c1ccc(F)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL323223

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

AD05059

Formula: C26H23O4NF2

Smiles:

CC(=O)OC(CCC1C(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1)c1ccc(F)cc1

HBA:	5	RingCount:	4
HBD:	1	FractionCSP3:	0.23
AlogP:	5.46	Num_rotatable_bonds:	7
MolWt:	451.47	Num_heavy_atoms:	33
TPSA:	66.84	NumAromaticRings:	3