3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Grundinformationen
- CAS
663-16-1- Standard-SMILES
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@]43O)C2)C[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
ZTPANAJOTNUCEO-ZEXCXVLLSA-N- Summenformel
- C35H54O13
- Durchschnittliche Molmasse
- 682,8 g/mol
- Monoisotopische Masse
- 682,35644177
Überblick
Glucogitoroside has been reported in Digitalis cariensis and Digitalis lanata with data available.
Namen und Bezeichner
- Bevorzugter Name
- 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- IUPAC
- 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- Englischer Name
- 3β-[(2,6-Dideoxy-4-O-β-D-glucopyranosyl-β-D-ribo-hexopyranosyl)oxy]-14,16β-dihydroxy-5β,14β-card-20(22)-enolide
- Summenformel
- C35H54O13
- Molmasse
- 682.8
Namen und Synonyme
DTXSID101107474663-16-1(3I(2),5I(2),16I(2))-3-[(2,6-Dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolideGlucogitoroside3β-[(2,6-Dideoxy-4-O-β-D-glucopyranosyl-β-D-ribo-hexopyranosyl)oxy]-14,16β-dihydroxy-5β,14β-card-20(22)-enolideCard-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-β-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxy-, (3β,5β,16β)-
Datenbank-Bezeichner
- CAS
663-16-1- PubChem CID
- 10628339
- DTXSID
DTXSID101107474- Nikkaji
- J292.894I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 205 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 48
- Formalladung
- 0
- Komplexität
- 1.250
Physikochemische Eigenschaften
- Siedepunkt
- 884 · 884.0±65.0 °C(Predicted)
- Dichte
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 12.89 · 12.89±0.70(Predicted)
Zugehörige Reaktionen
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