5-ethyl-2-[[6-(hydroxymethyl)-4-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-2,5-bis(oxidanyl)oxan-3-yl]methoxy]-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 5-ethyl-2-[[6-(hydroxymethyl)-4-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-2,5-bis(oxidanyl)oxan-3-yl]methoxy]-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 2-[[2,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-3-yl]methoxy]-5-ethyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 2-[[2,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-3-oxanyl]methoxy]-5-ethyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 2-[[2,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]methoxy]-5-ethyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 2-[[2,5-dihydroxy-6-methylol-4-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-3-yl]methoxy]-5-ethyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C22H36O15 MolecularWeight: 540.51224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(C(C1O)O)OCC2C(C(C(OC2O)CO)O)COC3C(C(C(C(O3)C)O)O)O)C(=O)O

Isomeric SMILES

CCC1=C(OC(C(C1O)O)OCC2C(C(C(OC2O)CO)O)COC3C(C(C(C(O3)C)O)O)O)C(=O)O

InChI

InChI=1S/C22H36O15/c1-3-8-14(26)16(28)22(37-18(8)19(30)31)34-6-10-9(13(25)11(4-23)36-20(10)32)5-33-21-17(29)15(27)12(24)7(2)35-21/h7,9-17,20-29,32H,3-6H2,1-2H3,(H,30,31)