11055-93-9 (茶皂素,Theasaponin)

Theasaponin;(3beta,16alpha,21beta,22alpha)-22-(acetyloxy)-16,23,28-trihydroxy-21-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl beta-D-galactopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->2)]-beta-D-glucopyranosiduronic acid;theasaponine;CHEBI:9517;11055-93-9;C08986;Q27108423;

BWPGKXYWPBQBPV-MWQJAWBESA-N

1S/C59H92O27/c1-10-24(2)49(76)86-46-47(79-25(3)63)59(23-62)27(17-54(46,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)66)81-53-45(85-52-44(36(68)29(65)21-78-52)84-50-39(71)35(67)28(64)20-77-50)42(41(73)43(83-53)48(74)75)82-51-40(72)38(70)37(69)30(19-60)80-51/h10-11,27-47,50-53,60-62,64-73H,12-23H2,1-9H3,(H,74,75)/b24-10-/t27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+,46-,47-,50-,51-,52-,53+,55-,56-,57+,58+,59-/m0/s1

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