CAS 532387-86-3: Esculeoside A

Description: Esculeoside A is a glycoside compound primarily derived from the seeds of the horse chestnut tree (Aesculus hippocastanum). It is characterized by its structure, which includes a sugar moiety linked to a non-sugar aglycone, contributing to its biological activity. This compound is known for its potential pharmacological properties, including anti-inflammatory and antioxidant effects. Esculeoside A has been studied for its role in various therapeutic applications, particularly in cardiovascular health, due to its ability to improve blood circulation and reduce edema. Additionally, it exhibits cytotoxic effects against certain cancer cell lines, making it a subject of interest in cancer research. The compound's solubility and stability can vary depending on the solvent and environmental conditions, which is important for its application in medicinal chemistry. Overall, Esculeoside A represents a significant area of study in natural product chemistry, with ongoing research aimed at elucidating its mechanisms of action and potential health benefits.

Formula: C₅₈H₉₅NO₂₉

InChI: InChI=1S/C58H95NO29/c1-21-36-30(88-58(21)35(79-22(2)64)11-23(14-59-58)19-77-51-45(74)41(70)38(67)31(15-60)81-51)13-28-26-6-5-24-12-25(7-9-56(24,3)27(26)8-10-57(28,36)4)80-53-47(76)43(72)48(34(18-63)84-53)85-55-50(87-54-46(75)42(71)39(68)32(16-61)82-54)49(40(69)33(17-62)83-55)86-52-44(73)37(66)29(65)20-78-52/h21,23-55,59-63,65-76H,5-20H2,1-4H3/t21-,23-,24-,25-,26+,27-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43+,44+,45+,46+,47+,48-,49-,50+,51+,52-,53+,54-,55-,56-,57-,58-/m0/s1

InChI key: InChIKey=VSQBWNYALURFOT-ZSFCQSFNSA-N

SMILES: O=C(OC1CC(COC2OC(CO)C(O)C(O)C2O)CNC31OC4CC5C6CCC7CC(OC8OC(CO)C(OC9OC(CO)C(O)C(OC%10OCC(O)C(O)C%10O)C9OC%11OC(CO)C(O)C(O)C%11O)C(O)C8O)CCC7(C)C6CCC5(C)C4C3C)C

Synonyms:

• 3-O-β-lycotetraosyl (5S,22S,23S,25S)-23-acetoxy-3β,27-dihydroxyspirosolane 27-O-β-D-glucopyranoside
• Esculeoside A
• (3β,5α,22α,23S,25S)-23-(Acetyloxy)-27-(β-D-glucopyranosyloxy)spirosolan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside
• β-D-Galactopyranoside, (3β,5α,22α,23S,25S)-23-(acetyloxy)-27-(β-D-glucopyranosyloxy)spirosolan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-

Esculeoside A

CAS: 532387-86-3

• Formula: C₅₈H₉₅NO₂₉
• Molecular weight: 1270.38

Esculeoside A

CAS: 532387-86-3

Spirosolane-type steroidal alkaloid glycoside found in ripe cherry tomato

• Formula: C₅₈H₉₅NO₂₉
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 1,270.37 g/mol