Ingredients

(3r)-2,6,6-trimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylic acid

C16H26O8

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: (3r)-2,6,6-trimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylic acid
Molecular Formula: C16H26O8
Molecular Weight: No data
Canonical SMILES: CC1=C(C(CCC1OC2C(C(C(C(O2)CO)O)O)O)(C)C)C(=O)O
Isomeric SMILES: CC1=C(C(CC[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)C(=O)O
InChI: InChI=1S/C16H26O8/c1-7-8(4-5-16(2,3)10(7)14(21)22)23-15-13(20)12(19)11(18)9(6-17)24-15/h8-9,11-13,15,17-20H,4-6H2,1-3H3,(H,21,22)/t8-,9-,11-,12+,13-,15-/m1/s1
Oral Bioavailability: 13.586
Drug Likeness: 0.455
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data