Cas no 88673-30-7 (3-{[2,6-dideoxy-4-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide)

3-{[2,6-dideoxy-4-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide structure
88673-30-7 structure
Product Name:3-{[2,6-dideoxy-4-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
CAS No:88673-30-7
MF:C35H54O12
MW:666.796072483063
CID:1931467
PubChem ID:181943
Update Time:2025-04-21

3-{[2,6-dideoxy-4-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide Chemical and Physical Properties

Names and Identifiers

    • 3-{[2,6-dideoxy-4-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
    • 3-[12,14-dihydroxy-3-[4-hydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5
    • Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside
    • 88673-30-7
    • DTXSID301008298
    • Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-(6-deoxy-beta-D-glucopyranosyl)-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-
    • Inchi： 1S/C35H54O12/c1-16-28(39)29(40)30(41)32(45-16)47-31-17(2)44-27(14-24(31)36)46-20-7-9-33(3)19(12-20)5-6-22-23(33)13-25(37)34(4)21(8-10-35(22,34)42)18-11-26(38)43-15-18/h11,16-17,19-25,27-32,36-37,39-42H,5-10,12-15H2,1-4H3
    • InChI Key： FSKRCOPPXZHDSV-UHFFFAOYSA-N
    • SMILES： OC12CCC(C3=CC(=O)OC3)C1(C)C(CC1C3(C)CCC(CC3CCC21)OC1CC(C(C(C)O1)OC1C(C(C(C(C)O1)O)O)O)O)O

Computed Properties

  • Exact Mass: 666.36152715g/mol
  • Monoisotopic Mass: 666.36152715g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 5
  • Complexity: 1230
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 18
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 185?2

3-{[2,6-dideoxy-4-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide Related Literature

Related Categories

88673-30-7 (3-{[2,6-dideoxy-4-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide) Related Products

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