[(2r,3s,4s,5r,6s)-6-[4-[(e)-3-[(2s,3r,4s,5r,6r)-4,5-dihydroxy-2-methyl-6-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

Structural Information

Molecular Formula

C₅₉H₆₇O₃₀

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C(=C6)OC)O)OC)O)O)O)O)O)OC(=O)/C=C/C7=CC=C(C=C7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COC(=O)C=CC9=CC=C(C=C9)O)O)O)O

InChI

InChI=1S/C59H66O30/c1-24-54(89-41(64)15-9-26-6-12-30(13-7-26)82-57-50(73)47(70)44(67)38(87-57)22-79-40(63)14-8-25-4-10-28(61)11-5-25)49(72)53(76)56(81-24)80-23-39-45(68)48(71)52(75)59(88-39)85-36-20-31-32(83-55(36)27-16-34(77-2)42(65)35(17-27)78-3)18-29(62)19-33(31)84-58-51(74)46(69)43(66)37(21-60)86-58/h4-20,24,37-39,43-54,56-60,66-76H,21-23H2,1-3H3,(H2-,61,62,63,65)/p+1/b15-9+/t24-,37+,38+,39+,43+,44+,45+,46-,47-,48-,49-,50+,51+,52+,53+,54-,56+,57+,58+,59+/m0/s1

InChIKey

OYEOLLSDEVGRBN-YWDMUGNASA-O

Compound name

[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

Related CIDs

• CID 101204174