Saikosaponin H
Grundinformationen
- CAS
91990-63-5- Standard-SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5C=CC6=C7CC(C)(C)CC[C@]7(CO)[C@@H](O)C[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
PYJMYPPFWASOJX-XMRFJGCSSA-N- Summenformel
- C48H78O17
- Durchschnittliche Molmasse
- 927,1 g/mol
Überblick
Saikosaponin H has been reported in Bupleurum falcatum with data available.
Namen und Bezeichner
- Bevorzugter Name
- Saikosaponin H
- IUPAC
- (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- Englischer Name
- [16β,28-Dihydroxy-11,12,13,18-tetradehydrooleanan-3β-yl]4-O-(6-deoxy-α-L-mannopyranosyl)-6-O-(β-D-glucopyranosyl)-β-D-glucopyranoside
- Summenformel
- C48H78O17
- Molmasse
- 927.12
Namen und Synonyme
Saikosaponin H(2S,3R,4R,5R,6S)-2-((2R,3S,4R,5R,6R)-6-(((3S,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl)oxy)-4,5-dihydroxy-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-3-yl)oxy-6-methyloxane-3,4,5-triol(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triolRefChem:109829691990-63-5(3beta,16beta)-16,28-Dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-[beta-D-glucopyranosyl-(1-->6)]-beta-D-glucopyranosideorb1684248SCHEMBL8148030TN2171AKOS037515250FS-7157[16β,28-Dihydroxy-11,12,13,18-tetradehydrooleanan-3β-yl]4-O-(6-deoxy-α-L-mannopyranosyl)-6-O-(β-D-glucopyranosyl)-β-D-glucopyranoside
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 278 Ų
- H-Brücken-Donoren
- 11
- H-Brücken-Akzeptoren
- 17
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 65
- Formalladung
- 0
- Komplexität
- 1.790
Physikochemische Eigenschaften
- Siedepunkt
- 1012.1 · 1012.1±65.0 °C(Predicted)
- Dichte
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 12.76 · 12.76±0.70(Predicted)
Chemie und Industrie
Anwendungen
VerwendenSaikosaponin H is an anti-influenza triterpenoid saponin from the roots of Bupleurum marginatum var. stenophyllum.
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