[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2S,3R,4S,5R,6S)-3,5-diacetyloxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-6-[[(2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyl-oxan-2-yl]methylsulfanyl]oxan-2-yl]methylsulfanyl]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2S,3R,4S,5R,6S)-3,5-diacetyloxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-6-[[(2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyl-oxan-2-yl]methylsulfanyl]oxan-2-yl]methylsulfanyl]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[[(2S,3R,4S,5R,6S)-3,5-diacetoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-6-[[(2S,3S,4S,5R,6S)-3,4,5-triacetoxy-6-sulfanyl-tetrahydropyran-2-yl]methylsulfanyl]tetrahydropyran-2-yl]methylsulfanyl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2S,3R,4S,5R,6S)-3,5-diacetyloxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]-6-[[(2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-mercapto-2-oxanyl]methylthio]-2-oxanyl]methylthio]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2S,3R,4S,5R,6S)-3,5-diacetyloxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-6-[[(2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyloxan-2-yl]methylsulfanyl]oxan-2-yl]methylsulfanyl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[[(2S,3R,4S,5R,6S)-3,5-diacetoxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]-6-[[(2S,3S,4S,5R,6S)-3,4,5-triacetoxy-6-mercapto-tetrahydropyran-2-yl]methylthio]tetrahydropyran-2-yl]methylthio]tetrahydropyran-2-yl]methyl ester Formula: C50H68O30S4 MolecularWeight: 1277.31692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SCC2C(C(C(C(O2)SCC3C(C(C(C(O3)S)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)SC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=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)SC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)SC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C50H68O30S4/c1-18(51)64-14-31-35(66-20(3)53)40(71-25(8)58)43(74-28(11)61)48(78-31)82-17-34-38(69-23(6)56)46(84-50-44(75-29(12)62)41(72-26(9)59)36(67-21(4)54)32(79-50)15-65-19(2)52)45(76-30(13)63)49(80-34)83-16-33-37(68-22(5)55)39(70-24(7)57)42(47(81)77-33)73-27(10)60/h31-50,81H,14-17H2,1-13H3/t31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50+/m1/s1