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    Ginsenoside Rg3

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 14197-60-5, 20s-ginsenoside rg3, (20s)-propanaxadiol, 20s-propanaxadiol, (20s)-ginsenoside rg3, S-ginsenoside rg3
    Molecular Formula
    C42H72O13
    Molecular Weight
    785.0  g/mol
    InChI Key
    RWXIFXNRCLMQCD-JBVRGBGGSA-N
    FDA UNII
    227D367Y57
    ginsenoside rg3 is a natural product found in Panax ginseng, Panax notoginseng, 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-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
    2.1.3 InChI Key
    RWXIFXNRCLMQCD-JBVRGBGGSA-N
    2.1.4 Canonical SMILES
    CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)O)C
    2.1.5 Isomeric SMILES
    CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)C
    2.2 Other Identifiers
    2.2.1 UNII
    227D367Y57
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 20(r)-ginsenoside Rg(3)

    2. 20(s)-ginsenoside Rg(3)

    3. 20s-ginsenoside Rg3

    4. 3-o-beta-d-glucopyranosyl-(1->2)-beta-d-glucopyranosyldammar-24-ene-3beta,12beta,20s-triol

    5. Beta-d-glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl 2-o-beta-d-glucopyranosyl-

    6. Ginsenoside 20-rg3

    7. Ginsenoside Rg(3)

    8. Ginsenoside Rg3, (+)-

    9. Ginsenoside Rg3, (s)-

    10. S-ginsenoside Rg3

    2.3.2 Depositor-Supplied Synonyms

    1. 14197-60-5

    2. 20s-ginsenoside Rg3

    3. (20s)-propanaxadiol

    4. 20s-propanaxadiol

    5. (20s)-ginsenoside Rg3

    6. S-ginsenoside Rg3

    7. 20(s)-ginsenoside Rg3

    8. 20(s)-ginsenoside-rg3

    9. 20(s)-propanaxidiol

    10. Chembl398412

    11. Chebi:67991

    12. (2s,3r,4s,5s,6r)-2-[(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-[[(3s,5r,8r,9r,10r,12r,13r,14r,17s)-12-hydroxy-17-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

    13. 11019-45-7

    14. 227d367y57

    15. (r)ginsenoside-rg3

    16. Ginsenoside 20-rg3

    17. Ginsenoside Rg3, (s)-

    18. Ginsenoside Rg3, (+)-

    19. Unii-227d367y57

    20. Rg3

    21. Mfcd06410950

    22. Ginsenoside Rg3,(s)

    23. 2'(r)-ginsenoside-rg3

    24. Gtpl7658

    25. Ginsenoside Rg3 [who-dd]

    26. Dtxsid101316982

    27. Hms3886b14

    28. Bdbm50317537

    29. Ginsenoside Rg3, Analytical Standard

    30. S9022

    31. Zinc96085900

    32. Ginsenoside Rg3, >=98% (hplc)

    33. Akos037514674

    34. Ccg-270472

    35. (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl 2-o-beta-d-glucopyranosyl-beta-d-glucopyranoside

    36. As-56617

    37. Dammar-24-ene-12-beta,20-diol, 3-beta-((2-o-beta-d-glucopyranosyl-beta-d-glucopyransoyl)oxy)-

    38. C20778

    39. 197g605

    40. Q-100154

    41. Q27077807

    42. .beta.-d-glucopyranoside, (3.beta.,12.beta.)-12,20-dihydroxydammar-24-en-3-yl 2-o-.beta.-d-glucopyranosyl-

    43. 3-o-.beta.-d-glucopyranosyl-(1->2)-.beta.-d-glucopyranosyldammar-24-ene-3.beta.,12.beta.,20s-triol

    44. Beta-d-glucopyranoside, (3-beta,12-beta)-12,20-dihydroxydammar-24-en-3-yl 2-o-beta-d-glucopyranosyl-

    45. Dammar-24-ene-12beta,20-diol, 3-beta-((2-o-beta-d-glucopyranosyl-beta-d-glucopyransoyl)oxy)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 785.0 g/mol
    Molecular Formula C42H72O13
    XLogP34
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count10
    Exact Mass784.49729235 g/mol
    Monoisotopic Mass784.49729235 g/mol
    Topological Polar Surface Area219 Ų
    Heavy Atom Count55
    Formal Charge0
    Complexity1370
    Isotope Atom Count0
    Defined Atom Stereocenter Count20
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents, Phytogenic

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