HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Elatoside F
elatoside F · Caraganoside A · Tarasaponin VII · TarasaponinVII/ElatosideF · Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)- · [(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6a S,6aS,6bR,10S,12aS,14bS)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2S,3R,4S,5R,6 R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3, 4,5-trihydroxyoxan-2-yl]oxy-oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethy l-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxyl ate
Identifikatoren & physikalische Daten
| CAS No. | 144118-18-3 |
|---|---|
| Summenformel | C52H84O21 |
| Durchschnittliche Molmasse | 1.045,2 g/mol |
| Monoisotopische Masse | 1.044,55050968 g/mol |
| SMILES | CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@H]2C1 |
| InChIKey | MLIQJRVPWRKGIO-BIRDKCKZSA-N |
| PubChem CID | 3083391 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 334 |
| H-Brücken-Donoren | 12 |
| H-Brücken-Akzeptoren | 21 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 73 |
| Formalladung | 0 |
| Komplexität | 2.010 |
| Dichte | 1.44±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 12.52±0.70(Predicted) |
| InChIKey | MLIQJRVPWRKGIO-GELPDTEYNA-N |