Aesculuside B

CAS: 26339-92-4

Ref. TR-A325700

Información del producto

• Nombre: Aesculuside B
• Sinónimos: (2S,3S,5R)-6-[[(4S,6aR,6bR,8R,8aR,9R,10R,14bR)-8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid, (3β,4β,16α,21β,22α)-16,21,22,23,28-Pentahydroxyolean-12-en-3-yl O-β-<span class="text-smallcaps">D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</smallcap>-glucopyranosyl-(1→4)]-β-<smallcap>D</span>-glucopyranosiduronic acid, AesculusideB, Desacylescin I, β-<span class="text-smallcaps">D</smallcap>-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl O-β-<smallcap>D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</span>-glucopyranosyl-(1→4)]-, β-D-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-, (3β,4β,16α,21β,22α)-16,21,22,23,28-Pentahydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosiduronic acid

Descripción

Applications Aesculuside B is an antiinflammatory triterpenoid saponin isolated from the seeds of Aesculus chinensis. Studies show that Aesculuside B may also potentially show antitumor and antiobese activity.
References Yang, X., et al.: Beijing Daxue Xuebao, Yixueban, 36, 31 (2004); Wei, F., et al.: Chem. Pharm. Bull., 52, 1246 (2004); Fu, W., et al.: J. Nat. Med., 60, 68 (2006); Kimura, H., et al.: J. Agr. Food Chem., 56, 4783 (2008)

• Marca: TRC

Propiedades químicas

• Peso molecular: 1007.12
• Fórmula: C₄₈H₇₈O₂₂
• Color/Forma: Neat
• InChI: InChI=1S/C48H78O22/c1-43(2)13-20-19-7-8-24-44(3)11-10-26(45(4,17-51)23(44)9-12-46(24,5)47(19,6)14-25(53)48(20,18-52)38(62)37(43)61)67-42-35(69-41-32(59)30(57)28(55)22(16-50)66-41)33(60)34(36(70-42)39(63)64)68-40-31(58)29(56)27(54)21(15-49)65-40/h7,20-38,40-42,49-62H,8-18H2,1-6H3,(H,63,64)/t20?,21-,22-,23?,24?,25-,26?,27-,28-,29+,30+,31-,32-,33?,34+,35-,36+,37+,38+,40+,41+,42?,44+,45-,46-,47+,48+/m1/s1
• Clave InChI: InChIKey=TWYGNCHWUKMUKE-LPLWZGDLSA-N
• SMILES: CC1(C)CC2C3=CCC4[C@@]5(C)CCC(OC6O[C@H](C(=O)O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)C5CC[C@@]4(C)[C@@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O