[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-oxan-2-yl]methanesulfonic acid

Systemtic Name: [(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-oxan-2-yl]methanesulfonic acid Openeye Name: [(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[(2R,3S,4R,5R,6S)-4-benzyloxy-2-(benzyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)-6-(4-methoxyphenoxy)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methanesulfonic acid CAS Name: [(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3S,4R,5R,6S)-5-(1,3-dioxo-2-isoindolyl)-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-2-oxanyl]methanesulfonic acid IUPAC Name: [(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-2-yl]methanesulfonic acid Traditional Name: [(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[(2R,3S,4R,5R,6S)-4-benzoxy-2-(benzoxymethyl)-6-(4-methoxyphenoxy)-5-phthalimido-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methanesulfonic acid Formula: C47H49NO18S MolecularWeight: 947.95286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC2C(OC(C(C2OCC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)OC6=CC=C(C=C6)OC)COCC7=CC=CC=C7)CS(=O)(=O)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)OC6=CC=C(C=C6)OC)COCC7=CC=CC=C7)CS(=O)(=O)O

InChI

InChI=1S/C47H49NO18S/c1-27(49)60-40-37(26-67(54,55)56)65-47(43(62-29(3)51)42(40)61-28(2)50)66-39-36(25-58-23-30-13-7-5-8-14-30)64-46(63-33-21-19-32(57-4)20-22-33)38(41(39)59-24-31-15-9-6-10-16-31)48-44(52)34-17-11-12-18-35(34)45(48)53/h5-22,36-43,46-47H,23-26H2,1-4H3,(H,54,55,56)/t36-,37-,38-,39-,40-,41-,42+,43-,46-,47+/m1/s1