methylsalicylate 2-O-β-D-glucopyranosyl-(1 -> 2)-[O-β-D-xylopyranosyl-(1 -> 6)]-O-β-D-glucopyranoside

methylsalicylate 2-<i>O</i>-β-<i>D</i>-glucopyranosyl-(1 -> 2)-[<i>O</i>-β-<i>D</i>-xylopyranosyl-(1 -> 6)]-<i>O</i>-β-<i>D</i>-glucopyranoside




Chemical Formula:
C25H36O17
Molecular Weight:
608.549 Daltons
Monoisotopic Mass:
608.1952497313 Daltons
SMILES:
COC(C1(=CC=CC=C1OC2(C(C(C(O)C(O2)COC3(C(C(O)C(CO3)O)O))O)OC4(C(C(C(O)C(O4)CO)O)O))))=O
InChI:
1S/C25H36O17/c1-36-22(35)9-4-2-3-5-11(9)39-25-21(42-24-20(34)17(31)15(29)12(6-26)40-24)18(32)16(30)13(41-25)8-38-23-19(33)14(28)10(27)7-37-23/h2-5,10,12-21,23-34H,6-8H2,1H3/t10-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,23+,24+,25-/m1/s1
InChIKey:
LXPWRTKQCKTQNJ-HJMUTKFXSA-N

Synonyms
  • methylsalicyl-GXG
  • methylsalicyl-6-O-β-D-xylopyranosyl-1,2-β-D-diglucopyranoside

Databases
MetaCyc:  CPD-19197
PubChem (CID):  102470202
MetaNetX:  MNXM531910