(3beta,7beta,12beta)-20-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Grundinformationen
- CAS
208764-54-9- Standard-SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]2(C)[C@@H](O)C=C2C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21C- InChIKey
SKOMPTIDEDWVJD-GVYXYICBSA-N- Summenformel
- C54H90O24
- Durchschnittliche Molmasse
- 1.123,3 g/mol
- Monoisotopische Masse
- 1.122,58220373
Überblick
(3beta,7beta,12beta)-20-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside has been reported in Panax quinquefolius with data available.
Namen und Bezeichner
- Bevorzugter Name
- (3beta,7beta,12beta)-20-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
- IUPAC
- (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,7S,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,7,9,11,12,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Namen und Synonyme
208764-54-9(3beta,7beta,12beta)-20-((6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy)-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside(3beta,7beta,12beta)-20-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosideRefChem:207959(2R,3R,4S,5S,6R)-2-(((2R,3S,4S,5R,6S)-6-((2S)-2-((3S,7S,8R,9R,10R,12R,13R,14R,17S)-3-((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-7,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,7,9,11,12,13,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,7S,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,7,9,11,12,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,6
- Polarare Oberfläche (TPSA)
- 398 Ų
- H-Brücken-Donoren
- 16
- H-Brücken-Akzeptoren
- 24
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 78
- Formalladung
- 0
- Komplexität
- 2.100
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