(7,8,9,12,13,14,28,29,30,33,34,35-Dodecahydroxy-4,17,25,38-tetraoxo-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-dodecaen-20-yl) 2-[2,3-dihydroxy-5-[(3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl)oxycarbonyl]phenoxy]-3,4,5-trihydroxybenzoate
Grundinformationen
- Standard-SMILES
O=C(OC1C(O)OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C1O)c1cc(O)c(O)c(Oc2c(C(=O)OC3OC4COC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OC4C4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OC34)cc(O)c(O)c2O)c1- InChIKey
BNKSPYAMWLMCHP-UHFFFAOYSA-N- Summenformel
- C68H48O44
- Durchschnittliche Molmasse
- 1.569,1 g/mol
- Monoisotopische Masse
- 1.568,15184482
Namen und Bezeichner
- Bevorzugter Name
- (7,8,9,12,13,14,28,29,30,33,34,35-Dodecahydroxy-4,17,25,38-tetraoxo-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-dodecaen-20-yl) 2-[2,3-dihydroxy-5-[(3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl)oxycarbonyl]phenoxy]-3,4,5-trihydroxybenzoate
- IUPAC
- (7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-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-dodecaen-20-yl) 2-[2,3-dihydroxy-5-[(3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl)oxycarbonyl]phenoxy]-3,4,5-trihydroxybenzoate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 744 Ų
- H-Brücken-Donoren
- 25
- H-Brücken-Akzeptoren
- 44
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 112
- Formalladung
- 0
- Komplexität
- 3.440
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…