[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-methoxy-3-[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-ethanoylsulfanylbutylsulfanylmethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-methoxy-3-[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-ethanoylsulfanylbutylsulfanylmethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6R)-4,5-diacetoxy-6-methoxy-3-[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-(4-acetylsulfanylbutylsulfanylmethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-methoxy-3-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[4-(acetylthio)butylthio]methyl]-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-methoxy-3-[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-acetylsulfanylbutylsulfanylmethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6R)-4,5-diacetoxy-6-methoxy-3-[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[[4-(acetylthio)butylthio]methyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C31H46O17S2 MolecularWeight: 754.81674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC)OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)CSCCCCSC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC)OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CSCCCCSC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C31H46O17S2/c1-15(32)40-13-22-24(26(42-17(3)34)28(44-19(5)36)30(39-8)46-22)48-31-29(45-20(6)37)27(43-18(4)35)25(41-16(2)33)23(47-31)14-49-11-9-10-12-50-21(7)38/h22-31H,9-14H2,1-8H3/t22-,23-,24+,25+,26+,27+,28-,29-,30-,31+/m1/s1