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

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2S,3R,4S,5R,6S)-3,5-diacetyloxy-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,6R)-3,4,5-triacetyloxy-6-bromanyl-oxan-2-yl]methylsulfanyl]oxan-2-yl]methylsulfanyl]-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-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-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,6R)-3,4,5-triacetyloxy-6-bromanyl-oxan-2-yl]methylsulfanyl]oxan-2-yl]methylsulfanyl]-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-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-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,6R)-3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-yl]methylsulfanyl]tetrahydropyran-2-yl]methylsulfanyl]-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-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-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,6R)-3,4,5-triacetyloxy-6-bromo-2-oxanyl]methylthio]-2-oxanyl]methylthio]-4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]-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-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,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methylsulfanyl]oxan-2-yl]methylsulfanyl]-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyloxan-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-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,6R)-3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-yl]methylthio]tetrahydropyran-2-yl]methylthio]-4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]tetrahydropyran-2-yl]methylthio]tetrahydropyran-2-yl]methyl ester
Formula: C74H99BrO44S5
MolecularWeight: 1932.78046
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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)SCC4C(C(C(C(O4)Br)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)SC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)SC6C(C(C(C(O6)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)SC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)Br)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)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/C74H99BrO44S5/c1-26(76)95-20-45-51(98-29(4)79)58(105-36(11)86)62(109-40(15)90)70(115-45)120-24-49-55(102-33(8)83)67(123-73-63(110-41(16)91)59(106-37(12)87)52(99-30(5)80)46(116-73)21-96-27(2)77)66(113-44(19)94)72(118-49)122-25-50-56(103-34(9)84)68(124-74-64(111-42(17)92)60(107-38(13)88)53(100-31(6)81)47(117-74)22-97-28(3)78)65(112-43(18)93)71(119-50)121-23-48-54(101-32(7)82)57(104-35(10)85)61(69(75)114-48)108-39(14)89/h45-74H,20-25H2,1-19H3/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+/m1/s1


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