Cas no 152686-86-7 (b-D-Glucopyranoside, (2E)-3-[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]-2-propenyl(9CI))

b-D-Glucopyranoside, (2E)-3-[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]-2-propenyl(9CI) structure
152686-86-7 structure
Product Name:b-D-Glucopyranoside, (2E)-3-[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]-2-propenyl(9CI)
CAS No:152686-86-7
MF:C22H32O13
MW:504.481688499451
CID:230252
Update Time:2024-03-01

b-D-Glucopyranoside, (2E)-3-[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]-2-propenyl(9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside, (2E)-3-[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]-2-propenyl(9CI)
    • b-D-Glucopyranoside, 3-[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]-2-propenyl,(E)-
    • Coniferyl alcohol 1,3'-di-O-b-D-glucopyranoside
    • Isoconferinoside
    • Isoconiferinoside
    • β-D-Glucopyranoside, (2E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-2-propen-1-yl
    • Inchi: 1S/C22H32O13/c1-31-12-7-10(3-2-6-32-21-19(29)17(27)15(25)13(8-23)34-21)4-5-11(12)33-22-20(30)18(28)16(26)14(9-24)35-22/h2-5,7,13-30H,6,8-9H2,1H3/b3-2-
    • InChI Key: FMNBOEFXHLGJLZ-IHWYPQMZSA-N
    • SMILES: COC1C(OC2C(O)C(O)C(O)C(CO)O2)=CC=C(/C=C\COC2C(O)C(O)C(O)C(CO)O2)C=1

Computed Properties

  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 35
  • XLogP3: -1.998
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