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    Chemistry

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    Also known as: 88901-36-4, Zff6z51tur, Mogrol-3-o-(beta-d-glucopyranosyl (1-6)-beta-d-glucopyranoside)-24-o-((beta-d-glucopyranosyl (1-2))-(beta-d-glucopyranosyl(1-6))-beta-d-glucopyranoside), Refchem:159318, (2r,3r,4s,5s,6r)-2-(((2r,3s,4s,5r,6r)-6-(((3s,8s,9r,10r,11r,13r,14s,17r)-17-((2r,5r)-5-((2s,3r,4s,5s,6r)-4,5-dihydroxy-3-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6-(((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxy-6-hydroxy-6-methylheptan-2-yl)-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1h-cyclopenta(a)phenanthren-3-yl)oxy)-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, Mogroside
    Molecular Formula
    C60H102O29
    Molecular Weight
    1287.4  g/mol
    InChI Key
    GHBNZZJYBXQAHG-KUVSNLSMSA-N
    FDA UNII
    ZFF6Z51TUR
    Mogroside V
    cucurbitane type sweet triterpene glycoside from fruit of Momordica grosvenori Swingle; RN given refers to (3beta,9beta,10alpha,11alpha,24R-all D)-isomer
    1 2D Structure

    Mogroside V

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C60H102O29/c1-23(9-13-35(57(4,5)79)88-55-50(89-54-49(78)43(72)38(67)29(20-63)84-54)45(74)40(69)31(86-55)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)44(73)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24-,26-,27-,28-,29-,30-,31-,32+,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,58+,59-,60+/m1/s1
    2.1.3 InChI Key
    GHBNZZJYBXQAHG-KUVSNLSMSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    ZFF6Z51TUR
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Mogrol-3-o-(beta-d-glucopyranosyl (1-6)-beta-d-glucopyranoside)-24-o-((beta-d-glucopyranosyl (1-2))-(beta-d-glucopyranosyl(1-6))-beta-d-glucopyranoside)

    2.3.2 Depositor-Supplied Synonyms

    1. 88901-36-4

    2. Zff6z51tur

    3. Mogrol-3-o-(beta-d-glucopyranosyl (1-6)-beta-d-glucopyranoside)-24-o-((beta-d-glucopyranosyl (1-2))-(beta-d-glucopyranosyl(1-6))-beta-d-glucopyranoside)

    4. Refchem:159318

    5. (2r,3r,4s,5s,6r)-2-(((2r,3s,4s,5r,6r)-6-(((3s,8s,9r,10r,11r,13r,14s,17r)-17-((2r,5r)-5-((2s,3r,4s,5s,6r)-4,5-dihydroxy-3-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6-(((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxy-6-hydroxy-6-methylheptan-2-yl)-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1h-cyclopenta(a)phenanthren-3-yl)oxy)-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

    6. Mogroside

    7. Mogroside Cento

    8. Mfcd00238649

    9. Mogroside-v

    10. Mogroside V (standard)

    11. Unii-zff6z51tur

    12. Mogroside V [usp-rs]

    13. Orb1304779

    14. Schembl4572693

    15. Chembl1829228

    16. Hy-n0502r

    17. Chebi:229959

    18. Ghbnzzjybxqahg-kuvsnlsmsa-n

    19. Hy-n0502

    20. Msk40108

    21. S3815

    22. Akos037645029

    23. Ccg-270667

    24. Om09974

    25. As-56272

    26. Cs-0009025

    27. 901m364

    28. (1s,4r,9beta,11alpha,24r)-1-{[6-o-(beta-d-glucopyranosyl)-beta-d-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl Beta-d-glucopyranosyl-(1->2)-[beta-d-glucopyranosyl-(1->6)]-beta-d-glucopyranoside

    29. (3.beta.,9.beta.,10.alpha.,11.alpha.,24r)-3-((6-o-.beta.-d-glucopyranosyl-.beta.-d-glucopyranosyl)oxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-.beta.-d-glucopyranosyl-(1->2)-o-(.beta.-d-glucopyranosyl-(1->6))-.beta.-d-glucopyranoside

    30. .beta.-d-glucopyranoside, (3.beta.,9.beta.,10.alpha.,11.alpha.,24r)-3-((6-o-.beta.-d-glucopyranosyl-.beta.-d-glucopyranosyl)oxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-.beta.-d-glucopyranosyl-(1->2)-o-(.beta.-d-glucopyranosyl-(1->6))-

    31. Beta-d-glucopyranoside, (3beta,9beta,10alpha,11alpha,24r)-3-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-beta-d-glucopyranosyl-(1-2)-o-(beta-d-glucopyranosyl-(1-6))-

    32. Mogrol-3-o-(.beta.-d-glucopyranosyl (1-6)-.beta.-d-glucopyranoside)-24-o-((.beta.-d-glucopyranosyl (1-2))-(.beta.-d-glucopyranosyl(1-6))-.beta.-d-glucopyranoside)

    2.4 Create Date
    2008-02-29
    3 Chemical and Physical Properties
    Molecular Weight 1287.4 g/mol
    Molecular Formula C60H102O29
    XLogP3-3.7
    Hydrogen Bond Donor Count19
    Hydrogen Bond Acceptor Count29
    Rotatable Bond Count20
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area477
    Heavy Atom Count89
    Formal Charge0
    Complexity2360
    Isotope Atom Count0
    Defined Atom Stereocenter Count35
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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