Cas no 438239-75-9 (Carbonothioic acid, O-[[(2aS,4aS,5S,7bS)-5-[[2-O-[[(1S,4aS,5S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]cyclopenta[c]pyran-4-yl]carbonyl]-β-D-glucopyranosyl]oxy]-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl] S-methyl ...)

Carbonothioic acid, O-[[(2aS,4aS,5S,7bS)-5-[[2-O-[[(1S,4aS,5S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]cyclopenta[c]pyran-4-yl]carbonyl]-β-D-glucopyranosyl]oxy]-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl] S-methyl ... structure
438239-75-9 structure
Product Name:Carbonothioic acid, O-[[(2aS,4aS,5S,7bS)-5-[[2-O-[[(1S,4aS,5S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]cyclopenta[c]pyran-4-yl]carbonyl]-β-D-glucopyranosyl]oxy]-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl] S-methyl ...
CAS No:438239-75-9
MF:C36H44O22S2
MW:892.851370811462
CID:2642536
Update Time:2024-03-01

Carbonothioic acid, O-[[(2aS,4aS,5S,7bS)-5-[[2-O-[[(1S,4aS,5S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]cyclopenta[c]pyran-4-yl]carbonyl]-β-D-glucopyranosyl]oxy]-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl] S-methyl ... Chemical and Physical Properties

Names and Identifiers

    • Carbonothioic acid, O-[[(2aS,4aS,5S,7bS)-5-[[2-O-[[(1S,4aS,5S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]cyclopenta[c]pyran-4-yl]carbonyl]-β-D-glucopyranosyl]oxy]-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl] S-methyl ...
    • (-)-Saprosmoside E
    • Inchi: 1S/C36H44O22S2/c1-59-35(47)51-7-11-3-15(39)21-13(9-49-31(19(11)21)57-33-27(44)25(42)23(40)17(5-37)54-33)30(46)56-28-26(43)24(41)18(6-38)55-34(28)58-32-20-12(8-52-36(48)60-2)4-16-22(20)14(10-50-32)29(45)53-16/h3-4,9-10,15-28,31-34,37-44H,5-8H2,1-2H3
    • InChI Key: YUOFAUXZZZPWPA-UHFFFAOYSA-N
    • SMILES: CSC(OCC1C2C3C(=COC2OC2C(OC(C4C5C(C=C(C5C(OC5C(O)C(O)C(O)C(CO)O5)OC=4)COC(SC)=O)O)=O)C(O)C(O)C(CO)O2)C(=O)OC3C=1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 60
  • XLogP3: -2.577

Carbonothioic acid, O-[[(2aS,4aS,5S,7bS)-5-[[2-O-[[(1S,4aS,5S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]cyclopenta[c]pyran-4-yl]carbonyl]-β-D-glucopyranosyl]oxy]-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl] S-methyl ... Related Literature

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