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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)OC)O)OC4C(C(CO4)(CO)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)OC)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)OC)O)OC4C(C(CO4)(CO)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)OC)O)O)O

InChI

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