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

Structural Information

Molecular Formula

C₅₃H₅₆O₂₈

SMILES

COC1=CC(=CC(=C1O)OC)/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

InChI

InChI=1S/C53H56O28/c1-71-30-14-22(15-31(72-2)38(30)61)5-12-36(60)73-19-33-40(63)44(67)47(70)52(78-33)81-50-45(68)41(64)34(20-74-35(59)11-4-21-3-10-26(56)27(57)13-21)79-53(50)80-49-42(65)37-28(58)16-25(75-51-46(69)43(66)39(62)32(18-54)77-51)17-29(37)76-48(49)23-6-8-24(55)9-7-23/h3-17,32-34,39-41,43-47,50-58,61-64,66-70H,18-20H2,1-2H3/b11-4+,12-5+/t32-,33-,34-,39-,40-,41-,43+,44+,45+,46-,47-,50-,51-,52+,53-/m1/s1

InChIKey

GINCECVAGAWZPZ-LXWFTQFXSA-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-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Related CIDs

• CID 131750834