GD038686

Name:

(2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r},3~{s})-3-methyl-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid

Formula:

C28H45O13F3

Smiles:

C[C@@H]1CCC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](CC3CCCCC3)C(=O)O)[C@@H]2O)[C@H]1O[C@H]1O[C@H](C(F)(F)F)[C@H](O)[C@H](O)[C@@H]1O

Aglycone:

CC1CCCC(O)C1O.O=C(O)C(O)CC1CCCCC1

Sugarmoiety:

OC1OC(C(F)(F)F)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• C5K

AD00935

Formula: C9H16O3

Smiles:

O=C(O)C(O)CC1CCCCC1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.89
AlogP:	1.4	Num_rotatable_bonds:	3
MolWt:	172.22	Num_heavy_atoms:	12
TPSA:	57.53	NumAromaticRings:	0

AD24098

Formula: C7H14O2

Smiles:

CC1CCCC(O)C1O

HBA:	2	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	0.53	Num_rotatable_bonds:	0
MolWt:	130.19	Num_heavy_atoms:	9
TPSA:	40.46	NumAromaticRings:	0