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

Structural Information

Molecular Formula

C₄₂H₄₆O₂₄

SMILES

C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC(=C(C=C6)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O

InChI

InChI=1S/C42H46O24/c43-12-23-28(50)32(54)35(57)40(62-23)60-18-10-21(48)27-22(11-18)61-37(16-3-5-17(45)6-4-16)38(31(27)53)65-42-39(66-41-36(58)33(55)29(51)24(13-44)63-41)34(56)30(52)25(64-42)14-59-26(49)8-2-15-1-7-19(46)20(47)9-15/h1-11,23-25,28-30,32-36,39-48,50-52,54-58H,12-14H2/b8-2+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,36-,39-,40-,41+,42-/m1/s1

InChIKey

MXOAIKMAXCNIJH-FOTKSCGOSA-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-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Related CIDs

• CID 131750837