[(2r,3s,4s,5r,6s)-6-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-2-[7-hydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Structural Information

Molecular Formula

C₅₃H₅₇O₂₈

SMILES

COC1=C(C=CC(=C1)C=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)CO)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)COC(=O)C=CC8=CC(=C(C=C8)O)OC)O)O)O)O)O)O

InChI

InChI=1S/C53H56O28/c1-71-32-11-21(3-7-26(32)56)5-9-38(60)73-19-36-42(64)45(67)48(70)52(79-36)81-50-46(68)43(65)37(20-74-39(61)10-6-22-4-8-27(57)33(12-22)72-2)80-53(50)77-34-17-25-30(75-49(34)23-13-28(58)40(62)29(59)14-23)15-24(55)16-31(25)76-51-47(69)44(66)41(63)35(18-54)78-51/h3-17,35-37,41-48,50-54,63-70H,18-20H2,1-2H3,(H5-,55,56,57,58,59,60,61,62)/p+1/t35-,36-,37-,41-,42-,43-,44+,45+,46+,47-,48-,50-,51-,52+,53-/m1/s1

InChIKey

ODYACVLCHZXDNX-YTCQAVQSSA-O

Compound name

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-2-[7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Related CIDs

• CID 101158321