[(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,3R,4S,5S,6S)-3,5,6-triacetyloxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]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,3R,4S,5S,6S)-3,5,6-triacetyloxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]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,3R,4S,5S,6S)-3,5,6-triacetoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]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,3R,4S,5S,6S)-3,5,6-triacetyloxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]-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,3R,4S,5S,6S)-3,5,6-triacetyloxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]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,3R,4S,5S,6S)-3,5,6-triacetoxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]tetrahydropyran-2-yl]methylthio]tetrahydropyran-2-yl]methylthio]tetrahydropyran-2-yl]methyl ester Formula: C64H86O39S4 MolecularWeight: 1607.60424

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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)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)SC5C(C(C(C(O5)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)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)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)OC(=O)C)OC(=O)C

InChI

InChI=1S/C64H86O39S4/c1-23(65)82-18-40-45(85-26(4)68)50(90-31(9)73)53(93-34(12)76)61(100-40)104-22-44-49(89-30(8)72)59(107-64-55(95-36(14)78)52(92-33(11)75)47(87-28(6)70)42(102-64)20-84-25(3)67)57(97-38(16)80)62(103-44)105-21-43-48(88-29(7)71)58(56(96-37(15)79)60(99-43)98-39(17)81)106-63-54(94-35(13)77)51(91-32(10)74)46(86-27(5)69)41(101-63)19-83-24(2)66/h40-64H,18-22H2,1-17H3/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,53-,54-,55-,56-,57-,58+,59+,60-,61+,62+,63+,64+/m1/s1