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

Systemtic Name: [6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-[6-methyl-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [4-[[4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-methylol-tetrahydropyran-3-yl] ester Formula: C36H48O19 MolecularWeight: 784.75492

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC(=O)C=CC4=CC(=C(C=C4)O)OC)CO)OCCC5=CC(=C(C=C5)O)O)O)C)O)O)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC(=O)/C=C/C4=CC(=C(C=C4)O)OC)CO)OCCC5=CC(=C(C=C5)O)O)O)C)O)O)O)O)O

InChI

InChI=1S/C36H48O19/c1-15-25(42)27(44)29(46)35(50-15)55-33-28(45)26(43)16(2)51-36(33)54-32-30(47)34(49-11-10-18-4-7-19(38)21(40)12-18)52-23(14-37)31(32)53-24(41)9-6-17-5-8-20(39)22(13-17)48-3/h4-9,12-13,15-16,23,25-40,42-47H,10-11,14H2,1-3H3/b9-6+