[(2r,3s,4s,5r,6s)-6-[5-[5-[(2s,3r,4s,5s,6r)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

Structural Information

Molecular Formula

C₅₁H₅₃O₂₇

SMILES

C1=CC(=CC=C1C=CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3O)O)C4=C(C=C5C(=CC(=CC5=[O+]4)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C=CC7=CC(=C(C=C7)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O

InChI

InChI=1S/C51H52O27/c52-17-33-39(61)42(64)45(67)51(76-33)75-32-16-25-29(14-24(54)15-30(25)73-49-46(68)43(65)40(62)34(77-49)18-71-37(59)10-5-21-3-8-26(55)27(56)11-21)72-48(32)22-12-28(57)38(60)31(13-22)74-50-47(69)44(66)41(63)35(78-50)19-70-36(58)9-4-20-1-6-23(53)7-2-20/h1-16,33-35,39-47,49-52,61-69H,17-19H2,(H5-,53,54,55,56,57,58,59,60)/p+1/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-/m1/s1

InChIKey

NGHBISJTUIJEBT-JXKRDHHRSA-O

Compound name

[(2R,3S,4S,5R,6S)-6-[5-[5-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

Related CIDs

• CID 101701425