Kaempferol 3-o-feruloyl-caffeoyl-sophoroside 7-o-glucoside

Structural Information

Molecular Formula

C₅₂H₅₄O₂₇

SMILES

COC1=C(C=CC(=C1)/C=C/C(=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(OC5=CC(=CC(=C5C4=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C7=CC=C(C=C7)O)COC(=O)/C=C/C8=CC(=C(C=C8)O)O)O)O)O)O)O)O

InChI

InChI=1S/C52H54O27/c1-70-30-15-22(3-11-27(30)56)5-13-36(60)71-19-33-39(62)43(66)46(69)51(76-33)79-49-44(67)40(63)34(20-72-35(59)12-4-21-2-10-26(55)28(57)14-21)77-52(49)78-48-41(64)37-29(58)16-25(73-50-45(68)42(65)38(61)32(18-53)75-50)17-31(37)74-47(48)23-6-8-24(54)9-7-23/h2-17,32-34,38-40,42-46,49-58,61-63,65-69H,18-20H2,1H3/b12-4+,13-5+/t32-,33-,34-,38-,39-,40-,42+,43+,44+,45-,46-,49-,50-,51+,52-/m1/s1

InChIKey

UICLSFURXKZJDP-XVAZHBMXSA-N

Compound name

[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Related CIDs

• CID 131750835