3-[[(2r,3s,4s,5r,6s)-6-[3-[(2s,3r,4s,5s,6r)-3-[(2s,3r,4s,5r)-4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Structural Information

Molecular Formula

C₅₆H₅₉O₃₀

SMILES

COC1=CC(=CC(=C1O)OC)C=CC(=O)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[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)COC(=O)C=CC8=CC(=C(C=C8)O)OC)O)O)O)O

InChI

InChI=1S/C56H58O30/c1-74-34-12-23(4-8-29(34)59)5-10-41(64)77-21-39-47(70)49(72)53(86-55-52(44(67)31(61)20-79-55)85-42(65)11-6-24-13-35(75-2)45(68)36(14-24)76-3)56(84-39)82-37-18-27-32(80-51(37)25-7-9-28(58)30(60)15-25)16-26(57)17-33(27)81-54-50(73)48(71)46(69)38(83-54)22-78-43(66)19-40(62)63/h4-18,31,38-39,44,46-50,52-56,61,67,69-73H,19-22H2,1-3H3,(H5-,57,58,59,60,62,63,64,65,68)/p+1/t31-,38-,39-,44+,46-,47-,48+,49+,50-,52-,53-,54-,55+,56-/m1/s1

InChIKey

CJGMMNTVAMNBRH-KZUJSMBPSA-O

Compound name

3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Related CIDs

• CID 101545484