Please Wait
Applying Filters...
menu
    • menu
    DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

    Virtual Booth

    Contact Supplier

    Kikkoman Biochemifa Company advances global health and safety through precision-driven innovation in biotech and food testing.

    Virtual Booth

    Contact Supplier

    dmfs-not-supported-m-2025-06-30

    Virtual Booth

    An Enquiry

    granules-india-limited-m-2025-07-07

    Virtual Booth

    Contact Supplier

    Allsino Pharma excels in R&D & manufacturing of RSMs, GMP intermediates, & APIs; ISO-certified, GMP-compliant, accredited by NMPA.

    Virtual Booth

    Contact Supplier

    jdmfs-not-supported-m-2025-06-30

    Virtual Booth

    An Enquiry

    Menu

    Sweroside-2'-(3'',5'',3'''-Trihydroxydiphenyl)-2''-Carboxylic Acid Ester

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 21018-84-8, 5l82gt5i0w, Sweroside-2'-(3'',5'',3'''-trihydroxydiphenyl)-2''-carboxylic acid ester, [(2s,3r,4s,5s,6r)-2-[[(3s,4r,4as)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3h-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate, (4ar)-5t-ethenyl-6c-[o(2)-(3,5,3'-trihydroxybiphenyl-2-ylcarbonyl)-beta-d-glucopyranosyloxy]-4,4ar,5,6-tetrahydro-3h-pyrano[3,4-c]pyran-1-one, (4as,5r,6s)-5-ethenyl-1-oxo-4,4a,5,6-tetrahydro-1h,3h-pyrano[3,4-c]pyran-6-yl- 2-o-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-d-glucopyranoside
    Molecular Formula
    C29H30O13
    Molecular Weight
    586.5  g/mol
    InChI Key
    DBOVHQOUSDWAPQ-WTONXPSSSA-N
    FDA UNII
    5L82GT5I0W
    amarogentin is a natural product found in Swertia japonica, Swertia chirayita, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
    2.1.2 InChI
    InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1
    2.1.3 InChI Key
    DBOVHQOUSDWAPQ-WTONXPSSSA-N
    2.1.4 Canonical SMILES
    C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O
    2.1.5 Isomeric SMILES
    C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O
    2.2 Other Identifiers
    2.2.1 UNII
    5L82GT5I0W
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 21018-84-8

    2. 5l82gt5i0w

    3. Sweroside-2'-(3'',5'',3'''-trihydroxydiphenyl)-2''-carboxylic Acid Ester

    4. [(2s,3r,4s,5s,6r)-2-[[(3s,4r,4as)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3h-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate

    5. (4ar)-5t-ethenyl-6c-[o(2)-(3,5,3'-trihydroxybiphenyl-2-ylcarbonyl)-beta-d-glucopyranosyloxy]-4,4ar,5,6-tetrahydro-3h-pyrano[3,4-c]pyran-1-one

    6. (4as,5r,6s)-5-ethenyl-1-oxo-4,4a,5,6-tetrahydro-1h,3h-pyrano[3,4-c]pyran-6-yl- 2-o-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-d-glucopyranoside

    7. Amarogentin [mi]

    8. C09767

    9. Unii-5l82gt5i0w

    10. Chebi:2622

    11. Schembl1031187

    12. Dtxsid501029787

    13. Hy-n2447

    14. Zinc3982136

    15. S1273

    16. Akos015896722

    17. Cs-0022673

    18. Q3613679

    19. 2-(4as-(4aalpha,5beta,6alpha))-3,3',5-trihydroxy-(1,1'-biphenyl)-2-carboxylate

    20. (1,1'-biphenyl)-2-carboxylic Acid, 3,3',5-trihydroxy-, 2-ester With 5-ethenyl-6-(beta-d-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1h,3h-pyrano(3,4-c)pyran-1-one, (4as-(4aalpha,5beta,6alpha))-

    21. (2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((3s,4r,4as)-8-oxo-4-vinyl-3,4,4a,5,6,8-hexahydropyrano[3,4-c]pyran-3-yl)oxy)tetrahydro-2h-pyran-3-yl 3,3',5-trihydroxy-[1,1'-biphenyl]-2-carboxylate

    22. 1h,3h-pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-((2-o-((3,3',5-trihydroxy(1,1'-biphenyl)-2-yl)carbonyl)-beta-d-glucopyranosyl)oxy)-, (4as,5r,6s)-

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 586.5 g/mol
    Molecular Formula C29H30O13
    XLogP32.4
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count8
    Exact Mass586.16864101 g/mol
    Monoisotopic Mass586.16864101 g/mol
    Topological Polar Surface Area202 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity1020
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1