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

Systemtic Name: [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-3-oxidanyl-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]methyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: [(2R,3R,4S,5R,6R)-5-acetoxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3R,4S,5R,6R)-5-acetoxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C30H36O16 MolecularWeight: 652.59724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1OCCC2=CC(=C(C=C2)O)O)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)OC4C(C(C(CO4)O)O)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCC2=CC(=C(C=C2)O)O)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O

InChI

InChI=1S/C30H36O16/c1-14(31)44-28-27(46-29-26(40)24(38)21(36)12-43-29)25(39)22(13-42-23(37)7-4-15-2-5-17(32)19(34)10-15)45-30(28)41-9-8-16-3-6-18(33)20(35)11-16/h2-7,10-11,21-22,24-30,32-36,38-40H,8-9,12-13H2,1H3/b7-4+/t21-,22-,24+,25-,26-,27+,28-,29+,30-/m1/s1