CAS 96158-13-3: β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-

Description:β-D-Glucopyranosiduronic acid, with the CAS number 96158-13-3, is a complex glycoside characterized by its unique structural features, including a glucopyranosiduronic acid moiety and a triterpenoid backbone derived from oleanolic acid. This compound exhibits a combination of hydrophilic and hydrophobic properties due to the presence of sugar units and a steroid-like structure, which can influence its solubility and biological activity. The glycosidic linkages, specifically the α-L-arabinopyranosyl and β-D-xylopyranosyl units, contribute to its potential interactions with biological systems, including enzyme inhibition or modulation of cell signaling pathways. Additionally, the carboxylic acid functional group enhances its reactivity and potential for forming salts or esters. Such compounds are often studied for their pharmacological properties, including anti-inflammatory, antioxidant, and antimicrobial activities. Overall, the structural complexity and functional groups present in β-D-Glucopyranosiduronic acid suggest a diverse range of potential applications in medicinal chemistry and biochemistry.

Formula:C₄₆H₇₂O₁₇

InChI:InChI=1S/C46H72O17/c1-41(2)14-16-46(40(56)57)17-15-44(6)21(22(46)18-41)8-9-26-43(5)12-11-27(42(3,4)25(43)10-13-45(26,44)7)60-39-35(63-38-31(52)29(50)24(48)20-59-38)33(32(53)34(62-39)36(54)55)61-37-30(51)28(49)23(47)19-58-37/h8,22-35,37-39,47-53H,9-20H2,1-7H3,(H,54,55)(H,56,57)

InChI key:InChIKey=XQGKHFSVPNPHAB-UHFFFAOYSA-N

SMILES:O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)O)CCC54C)C2(C)C)C(OC7OCC(O)C(O)C7O)C(OC8OCC(O)C(O)C8O)C1O

Synonyms:
β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-
Momordin Ie
28-Noroleanane, β-D-glucopyranosiduronic acid deriv.