Soyasaponin II
Grundinformationen
- CAS
55319-36-3- Standard-SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7CC(C)(C)C[C@@H](O)[C@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
IBZLICPLPYSFNZ-IVWMTKFPSA-N- Summenformel
- C47H76O17
- Durchschnittliche Molmasse
- 913,1 g/mol
- Monoisotopische Masse
- 912,50825095
Überblick
Soyasaponin II is a triterpenoid saponin.
Namen und Bezeichner
- Bevorzugter Name
- Soyasaponin II
- IUPAC
- (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
- Englischer Name
- (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aR,14aS,14bR)-9-hydro xy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8 ,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5 -dihydroxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy -oxan-2-yl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
- Summenformel
- C47H76O17
- Molmasse
- 913.1
Namen und Synonyme
Soyasaponin II55319-36-3DTXSID801317250(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid(2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-5-((2S,3R,4S,5S)-4,5-dihydroxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-3,4-dihydroxyoxane-2-carboxylic acidRefChem:184510DTXCID101747072(2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-5-((2S,3R,4S,5S)-4,5-dihydroxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl)oxy-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 275 Ų
- H-Brücken-Donoren
- 10
- H-Brücken-Akzeptoren
- 17
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 64
- Formalladung
- 0
- Komplexität
- 1.760
Experimentelle und physikochemische Eigenschaften
Melting Point212 - 215 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- storage temp.
- -20 °C, · -20°C, protect from light
- Löslichkeit
- 0.1 · Chloroform: Slightly soluble: 0.1-1 mg/mlDMSO: Sparingly soluble: 1-10 mg/mlMethanol: Slightly soluble: 0.1-1 mg/mlWater: Sparingly soluble: 1-10 mg/ml
- Aggregatzustand
- Solid
- Farbe
- White to off-white
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Anwendungen
VerwendenSoyasaponin II is a content found in ground soybeans that have inflammasomes that protects against acute liver failure
Anbieter33 Anbieter
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