[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[3-methoxy-4,5-bis(oxidanyl)phenyl]-7-oxidanyl-chromenylium-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-2-methyl-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride

Systemtic Name: [(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[3-methoxy-4,5-bis(oxidanyl)phenyl]-7-oxidanyl-chromenylium-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-2-methyl-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride Openeye Name: [(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxy-phenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromenylium-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-4,5-dihydroxy-2-methyl-3-oxanyl] ester chloride IUPAC Name: [(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride Traditional Name: (E)-3-(4-hydroxyphenyl)acrylic acid [(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxy-5-methoxy-phenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl] ester chloride Formula: C43H49ClO23 MolecularWeight: 969.28836

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C(=C6)OC)O)O)O)O)O)O)O)OC(=O)C=CC7=CC=C(C=C7)O.[Cl-]

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C(=C6)OC)O)O)O)O)O)O)O)OC(=O)/C=C/C7=CC=C(C=C7)O.[Cl-]

InChI

InChI=1S/C43H48O23.ClH/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42;/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49);1H/t16-,27+,28+,31+,32+,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+;/m0./s1