[3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-[2,3-bis(oxidanyl)-4-sulfanyl-butyl]sulfanyl-oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-[2,3-bis(oxidanyl)-4-sulfanyl-butyl]sulfanyl-oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[4,5-diacetoxy-2-(acetoxymethyl)-6-(2,3-dihydroxy-4-sulfanyl-butyl)sulfanyl-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[4,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2,3-dihydroxy-4-mercaptobutyl)thio]-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(2,3-dihydroxy-4-sulfanylbutyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[4,5-diacetoxy-2-(acetoxymethyl)-6-[(2,3-dihydroxy-4-mercapto-butyl)thio]tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C30H44O19S2 MolecularWeight: 772.78896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)SCC(C(CS)O)O)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)SCC(C(CS)O)O)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C30H44O19S2/c1-12(31)40-8-21-23(42-14(3)33)25(43-15(4)34)27(45-17(6)36)29(47-21)49-24-22(9-41-13(2)32)48-30(51-11-20(39)19(38)10-50)28(46-18(7)37)26(24)44-16(5)35/h19-30,38-39,50H,8-11H2,1-7H3