[(2R,3R,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-[5-methyl-2,3,4-tris(oxidanyl)cyclohexyl]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]ethoxy]-2-(hydroxymethyl)-4-[5-methyl-2,3,4-tris(oxidanyl)cyclohexyl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-(2,3,4-trihydroxy-5-methyl-cyclohexoxy)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)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-(2,3,4-trihydroxy-5-methylcyclohexyl)oxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-(2,3,4-trihydroxy-5-methylcyclohexyl)oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-methylol-4-(2,3,4-trihydroxy-5-methyl-cyclohexoxy)tetrahydropyran-3-yl] ester Formula: C30H38O14 MolecularWeight: 622.61432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1O)O)O)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O

Isomeric SMILES

CC1CC(C(C(C1O)O)O)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)OCCC4=CC(=C(C=C4)O)O)O

InChI

InChI=1S/C30H38O14/c1-14-10-21(25(38)26(39)24(14)37)42-29-27(40)30(41-9-8-16-3-6-18(33)20(35)12-16)43-22(13-31)28(29)44-23(36)7-4-15-2-5-17(32)19(34)11-15/h2-7,11-12,14,21-22,24-35,37-40H,8-10,13H2,1H3/b7-4+/t14?,21?,22-,24?,25?,26?,27-,28-,29-,30-/m1/s1