(25s)-26-o-[(3s)-3-hydroxy-3-methylglutaryl]-22,25-epoxy-furost-5-en-3beta-yl o-alpha-l-rhamnopyranosyl-(1-2)-o-[beta-d-glucopyranosyl-(1-4)]-beta-d-glucopyranoside

Structural Information

Molecular Formula

C₅₀H₇₈O₂₂

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@]6([C@H]([C@@H]5CC=C4C3)C[C@H]7[C@@H]6C[C@]8(O7)CC[C@@](O8)(C)COC(=O)C[C@](C)(CC(=O)O)O)C)C)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O

InChI

InChI=1S/C50H78O22/c1-22-34(56)36(58)38(60)43(65-22)70-42-40(62)41(69-44-39(61)37(59)35(57)30(19-51)67-44)31(20-52)68-45(42)66-24-8-10-48(4)23(14-24)6-7-25-26(48)9-11-49(5)27(25)15-29-28(49)16-50(71-29)13-12-47(3,72-50)21-64-33(55)18-46(2,63)17-32(53)54/h6,22,24-31,34-45,51-52,56-63H,7-21H2,1-5H3,(H,53,54)/t22-,24-,25+,26-,27-,28-,29-,30+,31+,34-,35+,36+,37-,38+,39+,40-,41+,42+,43-,44-,45+,46-,47-,48-,49-,50-/m0/s1

InChIKey

XNAWKIDGMHWXEJ-HWYHBKQGSA-N

Compound name

(3S)-3-hydroxy-5-[[(1S,2S,2'S,4S,6S,8R,9S,12S,13R,16S)-16-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2',9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-3-methyl-5-oxopentanoic acid

Related CIDs

• CID 171118555
• CID 171118556