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    Acteoside

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Verbascoside, Kusaginin, 61276-17-3, Tjc 160, Acetoside, Verbacoside
    Molecular Formula
    C29H36O15
    Molecular Weight
    624.6  g/mol
    InChI Key
    FBSKJMQYURKNSU-ZLSOWSIRSA-N
    FDA UNII
    3TGX09BD5B
    verbascoside is a natural product found in Orobanche amethystea, Barleria lupulina, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(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-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    2.1.2 InChI
    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
    2.1.3 InChI Key
    FBSKJMQYURKNSU-ZLSOWSIRSA-N
    2.1.4 Canonical SMILES
    CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    3TGX09BD5B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-o-(6-deoxy-alpha-l-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (e)-beta-d-

    2. Kusaginin

    3. Tjc 160

    4. Tjc-160

    5. Verbascoside

    2.3.2 Depositor-Supplied Synonyms

    1. Verbascoside

    2. Kusaginin

    3. 61276-17-3

    4. Tjc 160

    5. Acetoside

    6. Verbacoside

    7. Nsc 603831

    8. 3tgx09bd5b

    9. Mfcd00221751

    10. [(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

    11. 22323-52-0

    12. Tjc-160

    13. Unii-3tgx09bd5b

    14. Nsc-603831

    15. .beta.-d-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-o-(6-deoxy-.alpha.-l-mannopyranosyl)-, 4-((2e)-3-(3,4-dihydroxyphenyl)-2-propenoate)

    16. .beta.-d-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-o-(6-deoxy-.alpha.-l-mannopyranosyl)-, 4-[(2e)-3-(3,4-dihydroxyphenyl)-2-propenoate]

    17. Russetinol

    18. Stereospermin

    19. Acteoside; Verbascoside

    20. Verbascoside [inci]

    21. Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-o-(6-deoxy-alpha-l-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (e)-beta-d-

    22. Mls002473233

    23. Schembl657970

    24. Verbascoside [usp-rs]

    25. Chebi:9953

    26. Chembl231853

    27. Chembl444478

    28. Tjc160

    29. Cid_5281800

    30. Verbascoside, >=99% (hplc)

    31. Chebi:132853

    32. Cid_24978601

    33. Dtxsid701021953

    34. Hms2205k11

    35. Hy-n0021

    36. Zinc8234351

    37. Bdbm50241867

    38. S5458

    39. Akos015897165

    40. Ccg-270269

    41. Db12996

    42. Ncgc00378687-03

    43. As-75167

    44. Smr001397320

    45. N1341

    46. 276a173

    47. B864379

    48. Q411426

    49. Q-100706

    50. Verbascoside, Primary Pharmaceutical Reference Standard

    51. Verbascoside, United States Pharmacopeia (usp) Reference Standard

    52. ((2r,3r,4r,5r,6r)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-((2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yloxy)tetrahydro-2h-pyran-3-yl) 3-(3,4-dihydroxyphenyl)acrylate

    53. ((2r,3r,4r,5r,6r)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-((2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yloxy)tetrahydro-2h-pyran-3-yl)3-(3,4-dihydroxyphenyl)acrylate

    54. (2r,3r,4r,5r,6r)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-(((2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)tetrahydro-2h-pyran-3-yl (e)-3-(3,4-dihydroxyphenyl)acrylate

    55. (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-methyloxan-2-yl]oxy}oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

    56. (3,4-dihydroxyphenyl)ethyl O-.alpha.-rhamnopyranosyl(1->3)-4-o-caffeoyl-.beta.-d Glucopyranoside

    57. .beta.-d-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl3-o-(6-deoxy-.alpha.-l-mannopyranosyl)-, 4-[(2e)-3-(3,4-dihydroxyphenyl)-2-propenoate]

    58. 2-(3,4-dihydroxyphenyl)ethyl 3-o-(6-deoxy-alpha-l-mannopyranosyl)-4-o-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-d-glucopyranoside

    59. 2-(3,4-dihydroxyphenyl)ethyl 3-o-(alpha-l-rhamnopyranosyl)-4-o-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-d-glucopyranoside

    60. 3,4-dihydroxyphenethyl 3-o-alpha-l-rhamnopyranosyl-4-o-[3-(3,4-dihydroxyphenyl)acryloyl]-beta-d-glucopyranoside

    61. Beta-d-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-o-(6-deoxy-alpha-l-mannopyranosyl)-, 4-[(2e)-3-(3,4-dihydroxyphenyl)-2-propenoate]

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 624.6 g/mol
    Molecular Formula C29H36O15
    XLogP3-0.5
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count11
    Exact Mass624.20542044 g/mol
    Monoisotopic Mass624.20542044 g/mol
    Topological Polar Surface Area245 Ų
    Heavy Atom Count44
    Formal Charge0
    Complexity936
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Immunosuppressive Agents

    Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging. (See all compounds classified as Immunosuppressive Agents.)

    Antineoplastic Agents, Phytogenic

    Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity. (See all compounds classified as Antineoplastic Agents, Phytogenic.)

    Chelating Agents

    Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS. (See all compounds classified as Chelating Agents.)

    Anti-Infective Agents

    Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)

    Antioxidants

    Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)