Cas no 60029-67-6 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside)

2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside structure
60029-67-6 structure
Product Name:2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside
CAS No:60029-67-6
MF:C32H39O20
MW:743.640072107315
CID:1622767
PubChem ID:441671
Update Time:2025-04-21

2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside Chemical and Physical Properties

Names and Identifiers

    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside
    • C08612
    • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-
    • Q27103395
    • Cyanidin 3-glucopyranosyl-(1-->6)-[3-xylopyranosyl-(1-->2)]-galactopyranoside
    • AC1L9BFV
    • 142561-98-6
    • (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • 60029-67-6
    • Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)
    • DTXSID20331606
    • cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)
    • CHEBI:27898
    • Inchi： 1S/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/p+1/t16-,19-,20-,21+,22-,23+,24+,25+,26-,27-,29-,30-,31+,32-/m1/s1
    • InChI Key： RAHCBDLMLRVOBZ-KMLVFDMGSA-O
    • SMILES： O1[C@H]([C@@H]([C@H]([C@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)OC1=CC2C(=CC(=CC=2[O+]=C1C1C=CC(=C(C=1)O)O)O)O

Computed Properties

  • Exact Mass: 743.20346863g/mol
  • Monoisotopic Mass: 743.20346863g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 9
  • Complexity: 1140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 319?2

2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside Related Literature

Related Categories

60029-67-6 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside) Related Products

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