[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
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Grundinformationen
- CAS
162857-65-0- Standard-SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O- InChIKey
OIVDEBIGYOTPKV-AEORMTLBSA-N- Summenformel
- C58H94O27
- Durchschnittliche Molmasse
- 1.223,3 g/mol
Überblick
Polygalasaponin V has been reported in Polygala japonica with data available.
Namen und Bezeichner
- Bevorzugter Name
- [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- IUPAC
- [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- Englischer Name
- Polygalasaponin V
- Summenformel
- C58H94O27
- Molmasse
- 1223.35
Namen und Synonyme
162857-65-0orb1222631orb1302349HY-N2169AKOS040758650EBC-617238T4S0675MS-32064CS-00194783-O-beta-D-glucopyranosyl bayogenin 28-O-{beta-D-xylopyranosyl(1->4)-[beta-D-apiofuranosyl (1->3)]-alpha-L-rhamnopyranosyl (1->2)-beta-D-glucopyranosyl} esterEmandaxinPolygalasaponin V
Weitere Namen anzeigen
Polygal aasaponin V2)-beta-D-glucopyranosyl esterPolygalasaponin V, 10 mM in DMSOOlean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-, O-D-apio-β-D-furanosyl-(1→3)-O-[β-D-xylopyranosyl-(1→4)]-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl ester, (2β,3β,4α)-
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -2
- Polarare Oberfläche (TPSA)
- 433 Ų
- H-Brücken-Donoren
- 16
- H-Brücken-Akzeptoren
- 27
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 85
- Formalladung
- 0
- Komplexität
- 2.390
Physikochemische Eigenschaften
- Dichte
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- Powder
- pka
- 12.62 · 12.62±0.70(Predicted)
- Farbe
- White to off-white
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