[(2R,3R,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]-2-methoxy-ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: [(2R,3R,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]-2-methoxy-ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-2-methoxy-ethoxy]-5-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3R,4R,5R,6R)-4-[[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-[2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-5-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-2-methoxy-ethoxy]-5-hydroxy-2-methylol-tetrahydropyran-3-yl] ester Formula: C36H48O21 MolecularWeight: 816.75372

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCC(C4=CC(=C(C=C4)O)O)OC)O)OC5C(C(C(C(O5)CO)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCC(C4=CC(=C(C=C4)O)O)OC)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O

InChI

InChI=1S/C36H48O21/c1-14-25(44)28(47)33(57-35-29(48)27(46)26(45)21(11-37)53-35)36(52-14)56-32-30(49)34(51-13-23(50-2)16-5-7-18(40)20(42)10-16)54-22(12-38)31(32)55-24(43)8-4-15-3-6-17(39)19(41)9-15/h3-10,14,21-23,25-42,44-49H,11-13H2,1-2H3/b8-4+/t14-,21+,22+,23?,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36-/m0/s1