[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
Grundinformationen
- CAS
189307-16-2- Standard-SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CC[C@]6(C)C(=CC[C@@H]7[C@@]8(C)CC[C@@H](O)C(C)(C)[C@@H]8CC[C@]76C)[C@@H]4CC(C)(C)C(=O)C5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
UEBZRUDUKWQSKW-LDNHFDJZSA-N- Summenformel
- C48H76O18
- Durchschnittliche Molmasse
- 941,1 g/mol
- Monoisotopische Masse
- 940,50316557
Überblick
Papyrioside LE has been reported in Tetrapanax papyrifer with data available.
Namen und Bezeichner
- Bevorzugter Name
- [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
- IUPAC
- [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
Namen und Synonyme
DTXSID301101503189307-16-2Olean-12-en-28-oic acid, 3-hydroxy-21-oxo-, O-6-deoxy-I+/--L-mannopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-glucopyranosyl ester, (3I+/-)-
Datenbank-Bezeichner
- CAS
189307-16-2- PubChem CID
- 11803947
- DTXSID
DTXSID301101503- Nikkaji
- J819.368A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 292 Ų
- H-Brücken-Donoren
- 10
- H-Brücken-Akzeptoren
- 18
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 66
- Formalladung
- 0
- Komplexität
- 1.860
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