Cas no 22323-52-0 (Acteoside)

Acteoside structure
Acteoside structure
Product Name:Acteoside
CAS No:22323-52-0
MF:C29H36O15
MW:624.58715057373
CID:2654060
PubChem ID:354009
Update Time:2024-03-01

Acteoside Chemical and Physical Properties

Names and Identifiers

    • Acteoside
    • Verbascoside
    • Kusaginin
    • Verbacoside
    • TJC 160
    • acetoside
    • 3TGX09BD5B
    • C29H36O15
    • Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-
    • [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • Verbacoside;
    • Acteoside;
    • o
    • HMS3342B07
    • Acteoside;Kusaginin;TJC160
    • FT-0645088
    • 22323-52-0
    • Inchi: 1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
    • InChI Key: FBSKJMQYURKNSU-ZLSOWSIRSA-N
    • SMILES: O([C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)[C@@H]1[C@H]([C@H](OCCC2C=CC(=C(C=2)O)O)O[C@H](CO)[C@H]1OC(/C=C/C1C=CC(=C(C=1)O)O)=O)O

Computed Properties

  • Exact Mass: 624.20542
  • Monoisotopic Mass: 624.20542
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 11
  • Complexity: 936
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 245
  • XLogP3: -0.5
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