Neoalsoside A
Grundinformationen
- CAS
143452-01-1- Standard-SMILES
CC1CC2C(C[C@H](O)C3C([C@]4(C)C[C@H](O)[C@@H](C(C)(C)O)O4)CC[C@]23C)[C@@]2(C)CCC([C@]3(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(C)(C)C12- InChIKey
KFIUIESFCPQQCY-MYRKTTAQSA-N- Summenformel
- C48H82O18
- Durchschnittliche Molmasse
- 947,2 g/mol
- Monoisotopische Masse
- 946,55011576
Überblick
PKPZGKIGQKTIPZ-NZYAALCUSA-N has been reported in Neoalsomitra integrifoliola and Neoalsomitra clavigera with data available.
Namen und Bezeichner
- Bevorzugter Name
- Neoalsoside A
- IUPAC
- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- Englischer Name
- neoalsoside A
- Summenformel
- C48H82O18
- Molmasse
- 947.17
Namen und Synonyme
Neoalsoside A143452-01-112,23,25-Trihydroxy-20,24-epoxydammarane-3-O-rhamnosyl-1-2-rhamnosyl-1-3-glucosideRefChem:16508612 beta, 23 beta, 25-trihydroxy-(20S)(24S)-epoxy-dammarane 3-O-alpha-L-rhamnosyl(1----2)-alpha-rhamnosyl(1----3)-beta-D-glucosidebeta-D-Glucopyranoside, (3 beta,12beta,23S,24S)-20,24-epoxy-12,23,25-trihydroxydammaran-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-3))-(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-12 beta, 23 beta, 25-trihydroxy-(20S)(24S)-epoxy-dammarane 3-O-alpha-L-rhamnosyl(1----2)-alpha -rhamnosyl(1---- 3)-beta-D-glucosidebeta-D-Glucopyranoside, (3beta,12beta,23S,24S)-20,24-epoxy-12,23,25-trihydroxydammaran-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-3))-beta-D-Glucopyranoside, (3beta,12beta,23S,24S)-20,24-epoxy-12,23,25-trihydroxydarmmaran-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-3))-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 298 Ų
- H-Brücken-Donoren
- 12
- H-Brücken-Akzeptoren
- 18
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 66
- Formalladung
- 0
- Komplexität
- 1.740
Physikochemische Eigenschaften
- Siedepunkt
- 1002 · 1002.0±65.0 °C(Predicted)
- Dichte
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 12.78 · 12.78±0.70(Predicted)
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…