3-[[(2r,3s,4s,5r,6s)-6-[3-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Structural Information

Molecular Formula

C₅₄H₅₅O₂₈

SMILES

C1=CC(=CC=C1C=CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3OC4=C([O+]=C5C=C(C=C(C5=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)CC(=O)O)O)O)O)O)C7=CC(=C(C=C7)O)O)COC(=O)C=CC8=CC=C(C=C8)O)O)O)O)O)O)O

InChI

InChI=1S/C54H54O28/c55-26-8-1-23(2-9-26)5-13-39(62)73-20-35-42(65)46(69)49(72)53(80-35)82-51-47(70)44(67)37(21-74-40(63)14-6-24-3-10-27(56)11-4-24)81-54(51)78-34-18-29-32(76-50(34)25-7-12-30(58)31(59)15-25)16-28(57)17-33(29)77-52-48(71)45(68)43(66)36(79-52)22-75-41(64)19-38(60)61/h1-18,35-37,42-49,51-54,65-72H,19-22H2,(H5-,55,56,57,58,59,60,61,62,63)/p+1/t35-,36-,37-,42-,43-,44-,45+,46+,47+,48-,49-,51-,52-,53+,54-/m1/s1

InChIKey

PCZHGSBVVNVEOC-JPIXLSLKSA-O

Compound name

3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Related CIDs

• CID 101697180