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

Structural Information

Molecular Formula

C₅₆H₅₉O₃₁

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)COC(=O)CC(=O)O)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/C56H58O31/c1-76-33-11-22(3-7-27(33)58)5-9-40(64)78-19-36-44(68)48(72)51(75)55(85-36)87-53-49(73)46(70)38(20-79-41(65)10-6-23-4-8-28(59)34(12-23)77-2)86-56(53)83-35-17-26-31(81-52(35)24-13-29(60)43(67)30(61)14-24)15-25(57)16-32(26)82-54-50(74)47(71)45(69)37(84-54)21-80-42(66)18-39(62)63/h3-17,36-38,44-51,53-56,68-75H,18-21H2,1-2H3,(H6-,57,58,59,60,61,62,63,64,65,67)/p+1/t36-,37-,38-,44-,45-,46-,47+,48+,49+,50-,51-,53-,54-,55+,56-/m1/s1

InChIKey

LLPGJSHOOSZIFB-WFCHPJICSA-O

Compound name

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

Related CIDs

• CID 101158319