CAS 220114-28-3

Theasaponin E1

Description:

Theasaponin E1 is a natural saponin compound primarily derived from tea leaves, particularly from the Camellia sinensis plant. It is characterized by its complex glycosidic structure, which typically includes a hydrophobic aglycone and one or more sugar moieties. Theasaponin E1 exhibits various biological activities, including antioxidant, anti-inflammatory, and potential anti-cancer properties, making it of interest in both nutritional and pharmaceutical research. Its amphiphilic nature allows it to interact with cell membranes, which may contribute to its bioactivity. Additionally, theasaponins are known for their ability to form micelles and foams, which can influence their solubility and absorption in biological systems. The compound is also studied for its potential health benefits, including cholesterol-lowering effects and modulation of immune responses. As with many saponins, theasaponin E1 may exhibit toxicity at high concentrations, necessitating careful evaluation in therapeutic applications. Overall, its unique properties and potential health benefits make it a subject of ongoing scientific investigation.

Formula: C₅₉H₉₀O₂₇

InChI: InChI=1S/C59H90O27/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(85-51-40(72)38(70)37(69)30(19-60)80-51)42(41(73)43(83-53)48(74)75)82-52-44(36(68)29(65)21-78-52)84-50-39(71)35(67)28(64)20-77-50/h10-11,22,27-47,50-53,60,62,64-73H,12-21,23H2,1-9H3,(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

InChI key: InChIKey=WWVKOCDDDWJQLC-MWQJAWBESA-N

SMILES: C(O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](C=O)(C)[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@H]8[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)CO9)[C@@H](O)[C@@H](O)CO8)[C@H](O)[C@@H](C(O)=O)O6)CC5)[H])[H])(CC(C)(C)[C@@H](OC(/C(=C\C)/C)=O)[C@@H]2OC(C)=O)[H]

Synonyms:

• β-D-Glucopyranosiduronic acid, (3β,4α,16α,21β,22α)-22-(acetyloxy)-16,28-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→3)]-
• (3β,4α,16α,21β,22α)-22-(Acetyloxy)-16,28-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→3)]-β-D-glucopyranosiduronic acid
• β-D-Glucopyranosiduronic acid, (3β,4α,16α,21β,22α)-22-(acetyloxy)-16,28-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-23-oxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→3)]-
• Theasaponin E1

Theasaponin E1

CAS: 220114-28-3

Formula: C₅₉H₉₀O₂₇

Purity: 95%~99%

Molecular weight: 1231.34

Ref: BP-BP4931