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    Technical details about Sambicyanin, learn more about the structure, uses, toxicity, action, side effects and more

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    Sambicyanin

    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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    2D Structure
    1. Also known as: 33012-73-6, Sambicyanin, Cyanidin-3-o-sambubioside chloride, 4bit5wsl15, Cyanidin-3-sambubioside, Cyanidin 3-sambubioside (chloride)
    Molecular Formula
    C26H29ClO15
    Molecular Weight
    616.9  g/mol
    InChI Key
    BWHXEGJOYVNGQH-XOBUMVIESA-N
    FDA UNII
    4BIT5WSL15
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;chloride
    2.1.2 InChI
    InChI=1S/C26H28O15.ClH/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9;/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31);1H/t15-,18-,19+,20-,21+,22-,24-,25+,26-;/m1./s1
    2.1.3 InChI Key
    BWHXEGJOYVNGQH-XOBUMVIESA-N
    2.1.4 Canonical SMILES
    C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O.[Cl-]
    2.1.5 Isomeric SMILES
    C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O.[Cl-]
    2.2 Other Identifiers
    2.2.1 UNII
    4BIT5WSL15
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,5,7,3',4'-pentahydroxyflavylium-3-o-beta-d-xylopyranosyl-(1-2)-beta-d-glucopyranoside

    2. Sambicyanin

    2.3.2 Depositor-Supplied Synonyms

    1. 33012-73-6

    2. Sambicyanin

    3. Cyanidin-3-o-sambubioside Chloride

    4. 4bit5wsl15

    5. Cyanidin-3-sambubioside

    6. Cyanidin 3-sambubioside (chloride)

    7. Cyanidine 3-sambubioside

    8. (2s,3r,4s,5r)-2-[(2s,3r,4s,5s,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;chloride

    9. Cyanidin-3-o-sambubioside

    10. 3-(((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2s,3r,4s,5r)-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl)oxy)tetrahydro-2h-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium Chloride

    11. Unii-4bit5wsl15

    12. Cyanidin 3-o-(2-o-xylopyranosylglycopyranoside)

    13. Cyanidin 3-sambubioside Chloride

    14. Dtxsid30954628

    15. Hy-n2533

    16. 3,5,7,3',4'-pentahydroxyflavylium-3-o-beta-d-xylopyranosyl-(1-2)-beta-d-glucopyranoside

    17. Cyanidin 3-o-sambubioside Chloride

    18. Cs-0022804

    19. Q9333097

    20. Cyanidin 3-o-(2-o-.beta.-xylopyranosyl)-.beta.-glucopyranoside

    21. 1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-o-.beta.-d-xylopyranosyl-.beta.-d-glucopyranosyl)oxy)-, Chloride (1:1)

    22. 1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)oxy)-, Chloride

    23. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)oxy]-1-benzopyrylium Chloride

    24. Flavylium, 4',5,5',7-tetrahydroxy-3-((2-o-.beta.-d-xylopyranosyl-.beta.-d-glucopyranosyl)oxy)-, Chloride

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 616.9 g/mol
    Molecular Formula C26H29ClO15
    Hydrogen Bond Donor Count10
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count6
    Exact Mass616.1194979 g/mol
    Monoisotopic Mass616.1194979 g/mol
    Topological Polar Surface Area240 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity852
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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