3-[[(2r,3s,4s,5r,6s)-6-[5,7-dihydroxy-2-[4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(e)-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(e)-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Structural Information

Molecular Formula

C₆₆H₇₅O₃₉

SMILES

C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)/C=C/C(=O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)OC5=CC(=CC(=C5O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C7=[O+]C8=CC(=CC(=C8C=C7O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)COC(=O)CC(=O)O)O)O)O)O)O)O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C66H74O39/c67-19-36-46(77)51(82)56(87)62(101-36)95-28-7-1-24(2-8-28)5-11-42(73)92-21-38-48(79)53(84)57(88)63(103-38)96-29-9-3-25(4-10-29)6-12-43(74)93-22-39-49(80)54(85)59(90)65(104-39)99-34-14-26(13-33(45(34)76)98-64-58(89)52(83)47(78)37(20-68)102-64)61-35(17-30-31(70)15-27(69)16-32(30)97-61)100-66-60(91)55(86)50(81)40(105-66)23-94-44(75)18-41(71)72/h1-17,36-40,46-60,62-68,77-91H,18-23H2,(H3-,69,70,71,72,76)/p+1/b11-5+,12-6+/t36-,37-,38-,39-,40-,46-,47-,48-,49-,50-,51+,52+,53+,54+,55+,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m1/s1

InChIKey

WEOYCCAEGSCXSP-ICFZXNGXSA-O

Compound name

3-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Related CIDs

• CID 10582369