Esculeoside A information

Esculeoside A
Names
	IUPAC name (2aS,2'S,3'S,4S,5'S,6aS,6bS,8aS,8bR,9S,11aS,12bR)-4-(((2R,3R,4R,5R,6R)-3,4-dihydroxy-5-(((2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6a,8a,9-trimethyl-5'-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)octadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidin]-3'-yl acetate
Identifiers
CAS Number	532387-86-3 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:65866 ;
ChemSpider	9062993 ;
PubChem CID	10887728;
UNII	G4UT79K5T5 ;
	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 Key: VSQBWNYALURFOT-ZSFCQSFNSA-N ; InChI=1/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 Key: VSQBWNYALURFOT-ZSFCQSFNBT;
	SMILES C[C@@]12[C@](CC[C@]3([H])[C@]2([H])CC[C@@]4(C)C3C[C@@]5([H])[C@]4([H])[C@H](C)[C@]6(NC[C@@H](CO[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)C[C@@H]6OC(C)=O)O5)([H])C[C@@H](O[C@]8([H])O[C@H](CO)[C@H](O[C@@]9([H])[C@H](O[C@@]%10([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O%10)[C@@H](O[C@@]%11([H])[C@H](O)[C@@H](O)[C@H](O)CO%11)[C@H](O)[C@@H](CO)O9)[C@H](O)[C@H]8O)CC1;
Properties
Chemical formula	C58H95NO29
Molar mass	1270.376 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Esculeoside A is a spirosolane-type glycoside with the molecular formula C₅₈H₉₅NO₂₉.^[1] The structure of this product is 3-Ο-β-lycotetraosyl (22S,23S,25S)-23-acetoxy-3β,27-dihydroxy-5α-spirosolane 27-Ο-β-D-glucopyranoside.^[1] Fujiwara and colleagues were the first to isolate esculeoside A from the ripe fruit of the Cherry tomato in 2002. Esculeoside A, along with many other steroidal alkaloid glycosides, have been shown to possess cytotoxic activity that could result in a variety of potential health benefits for humans.

^ ^a ^b Cite error: The named reference Nohara was invoked but never defined (see the help page).

[Nohara-1] Cite error: The named reference Nohara was invoked but never defined (see the help page).