7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
Grundinformationen
- Standard-SMILES
O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)c2c-4c(O)c(O)c(O)c2C1c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2- InChIKey
RAGDRWAJGDFGKH-UHFFFAOYSA-N- Summenformel
- C56H38O32
- Durchschnittliche Molmasse
- 1.222,9 g/mol
- Monoisotopische Masse
- 1.222,13461906
Namen und Bezeichner
- Bevorzugter Name
- 7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
- IUPAC
- 7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 566 Ų
- H-Brücken-Donoren
- 21
- H-Brücken-Akzeptoren
- 32
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 88
- Formalladung
- 0
- Komplexität
- 2.620
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…