[(2R,3R,4S,5S,6R)-5-acetyloxy-3,4-bis(phenylcarbonyloxy)-6-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]sulfanyl-oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5S,6R)-5-acetyloxy-3,4-bis(phenylcarbonyloxy)-6-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]sulfanyl-oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5S,6R)-5-acetoxy-3,4-dibenzoyloxy-6-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]sulfanyl-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5S,6R)-5-acetyloxy-3,4-dibenzoyloxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)-2-oxanyl]thio]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6R)-5-acetyloxy-3,4-dibenzoyloxy-6-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]sulfanyloxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5S,6R)-5-acetoxy-3,4-dibenzoyloxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]thio]tetrahydropyran-2-yl]methyl ester Formula: C63H52O18S MolecularWeight: 1129.14118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1SC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

Isomeric SMILES

CC(=O)O[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

InChI

InChI=1S/C63H52O18S/c1-39(64)74-53-51(79-59(69)44-31-17-6-18-32-44)49(77-57(67)42-27-13-4-14-28-42)47(37-72-55(65)40-23-9-2-10-24-40)75-62(53)82-63-54(81-61(71)46-35-21-8-22-36-46)52(80-60(70)45-33-19-7-20-34-45)50(78-58(68)43-29-15-5-16-30-43)48(76-63)38-73-56(66)41-25-11-3-12-26-41/h2-36,47-54,62-63H,37-38H2,1H3/t47-,48-,49-,50-,51+,52+,53+,54-,62-,63+/m1/s1