[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-methoxy-3-[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-methoxy-oxan-3-yl]oxy-oxan-2-yl]methylsulfanyl]butylsulfanylmethyl]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-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-methoxy-oxan-3-yl]oxy-oxan-2-yl]methylsulfanyl]butylsulfanylmethyl]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-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2R,3S,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methylsulfanyl]butylsulfanylmethyl]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-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-methoxy-3-oxanyl]oxy]-2-oxanyl]methylthio]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-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-methoxyoxan-3-yl]oxyoxan-2-yl]methylsulfanyl]butylsulfanylmethyl]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-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2R,3S,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methylthio]butylthio]methyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C54H78O32S2 MolecularWeight: 1303.30792

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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)CSCCCCSCC3C(C(C(C(O3)OC4C(OC(C(C4OC(=O)C)OC(=O)C)OC)COC(=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)OC)OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CSCCCCSC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@H]4[C@H](O[C@H]([C@@H]([C@H]4OC(=O)C)OC(=O)C)OC)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C54H78O32S2/c1-23(55)69-19-35-39(43(73-27(5)59)47(77-31(9)63)51(67-13)81-35)85-53-49(79-33(11)65)45(75-29(7)61)41(71-25(3)57)37(83-53)21-87-17-15-16-18-88-22-38-42(72-26(4)58)46(76-30(8)62)50(80-34(12)66)54(84-38)86-40-36(20-70-24(2)56)82-52(68-14)48(78-32(10)64)44(40)74-28(6)60/h35-54H,15-22H2,1-14H3/t35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,53+,54+/m1/s1