[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-[[(2S,3R,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxymethyl]-6-phenylsulfanyl-oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-[[(2S,3R,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxymethyl]-6-phenylsulfanyl-oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetoxy-2-[[(2S,3R,4S,5R,6R)-3,4-dibenzyloxy-6-(benzyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-6-phenylsulfanyl-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-[[(2S,3R,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxymethyl]-6-(phenylthio)-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-[[(2S,3R,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-6-phenylsulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetoxy-2-[[(2S,3R,4S,5R,6R)-3,4-dibenzoxy-6-(benzoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-6-(phenylthio)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C91H100O26S MolecularWeight: 1641.8171

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)SC3=CC=CC=C3)COC4C(C(C(C(O4)COCC5=CC=CC=C5)OC6C(C(C(C(O6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)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)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)SC3=CC=CC=C3)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C91H100O26S/c1-58(92)100-56-74-78(107-59(2)93)82(108-60(3)94)86(110-62(5)96)90(114-74)117-79-75(115-91(118-71-45-29-14-30-46-71)87(111-63(6)97)83(79)109-61(4)95)57-106-88-84(104-52-69-41-25-12-26-42-69)81(103-51-68-39-23-11-24-40-68)77(73(112-88)55-99-48-65-33-17-8-18-34-65)116-89-85(105-53-70-43-27-13-28-44-70)80(102-50-67-37-21-10-22-38-67)76(101-49-66-35-19-9-20-36-66)72(113-89)54-98-47-64-31-15-7-16-32-64/h7-46,72-91H,47-57H2,1-6H3/t72-,73-,74-,75-,76-,77-,78-,79-,80+,81+,82+,83+,84-,85-,86-,87-,88+,89-,90-,91+/m1/s1