(1R,2R,19S,20S,22R)-20-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone
Grundinformationen
- Standard-SMILES
O=C1OC[C@H]2O[C@@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O- InChIKey
SVPYZRHMFOMZNT-AUXOHTKBSA-N- Summenformel
- C49H36O27
- Durchschnittliche Molmasse
- 1.056,8 g/mol
- Monoisotopische Masse
- 1.056,14439589
Überblick
SVPYZRHMFOMZNT-AUXOHTKBSA-N has been reported in Quercus salicina with data available.
Namen und Bezeichner
- Bevorzugter Name
- (1R,2R,19S,20S,22R)-20-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone
- IUPAC
- (1R,2R,19S,20S,22R)-20-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 468 Ų
- H-Brücken-Donoren
- 17
- H-Brücken-Akzeptoren
- 27
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 76
- Formalladung
- 0
- Komplexität
- 2.140
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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