Cas no 54835-76-6 (Gardoside)

Gardoside structure
Gardoside structure
Product Name:Gardoside
CAS No:54835-76-6
MF:C16H22O10
MW:374.339886188507
CID:2028333
PubChem ID:46173850
Update Time:2025-04-21

Gardoside Chemical and Physical Properties

Names and Identifiers

    • Gardoside
    • C16963
    • CHEBI:80827
    • (1S,4AS,6S,7aS)-1-(
    • A-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylenecyclopenta[c]pyran-4-carboxylic acid
    • (1S,4aS,6S,7aS)-6-hydroxy-7-methylidene-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
    • FS-7242
    • HY-N8046
    • Q27149870
    • CS-0139030
    • 54835-76-6
    • E87199
    • CHEMBL3622810
    • (1S,4AS,6S,7as)-6-hydroxy-7-methylidene-1-(((2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1H,4ah,5H,6H,7H,7ah-cyclopenta(c)pyran-4-carboxylate
    • (1S,4AS,6S,7as)-6-hydroxy-7-methylidene-1-{[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4ah,5H,6H,7H,7ah-cyclopenta[c]pyran-4-carboxylate
    • DA-53515
    • (1S,4aS,6S,7aS)-6-hydroxy-7-methylidene-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta(c)pyran-4-carboxylic acid
    • Inchi: 1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1
    • InChI Key: JSKCJJNYSGWZDU-RQJSCMEKSA-N
    • SMILES: O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@H]1[C@@H]2C(=C)[C@H](C[C@@H]2C(C(=O)O)=CO1)O

Computed Properties

  • Exact Mass: 374.12129689g/mol
  • Monoisotopic Mass: 374.12129689g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 604
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.068
  • Topological Polar Surface Area: 166?2

Gardoside Pricemore >>

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