(3R,4R,6aS,6bR,8S,8aS,12aR,14bS)-8a-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Grundinformationen
- Standard-SMILES
CC1(C)CC[C@]2(C(=O)O[C@H]3O[C@@H](CO[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]3O)[C@H](C1)C1=CCC3[C@]4(C)CC[C@@H](O[C@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)[C@](C)(C(=O)O)C4CC[C@]3(C)[C@@]1(C)C[C@@H]2O- InChIKey
GAEHQHKGPCGEPQ-HCVUUTBASA-N- Summenformel
- C53H84O25
- Durchschnittliche Molmasse
- 1.121,2 g/mol
- Monoisotopische Masse
- 1.120,53016819
Überblick
saponarioside G has been reported in Saponaria officinalis with data available.
Namen und Bezeichner
- Bevorzugter Name
- (3R,4R,6aS,6bR,8S,8aS,12aR,14bS)-8a-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
- IUPAC
- (3R,4R,6aS,6bR,8S,8aS,12aR,14bS)-8a-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Namen und Synonyme
Saponarioside G223376-72-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,5
- Polarare Oberfläche (TPSA)
- 411 Ų
- H-Brücken-Donoren
- 15
- H-Brücken-Akzeptoren
- 25
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 78
- Formalladung
- 0
- Komplexität
- 2.200
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…