Aucubin
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Aucubin|rhinanthin|Aucuboside|aucubuside|Rhimanthin|Aucubine|Rhimantin|6-Epiaucubin|Aucubin (Standard)|Aucubin (Rhinanthin)|AUCUBIN [MI]|Azomycin(2-Nitroimidazole)|Aucubin, analytical standard|EINECS 207-540-8|MEGxp0_001729|ACon1_002452|HY-N0664R|AUCUBIN (REFERENCE GRADE)|WLZ4644|HY-N0664|NP3881|s5459|Aucubigenin 1-O-beta-D-glucopyranoside
| Molecular Formula | C15H22O9 |
|---|---|
| Molecular Weight | 346.12637 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 149.07 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.12637 |
| Heavy Atoms | 24 |
| Complexity | 505.2 |
Chemical Identifiers
| CAS Number | 479-98-1 |
|---|---|
| SMILES | C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
Product Overview
Aucubin (CAS 479-98-1), with molecular formula C15H22O9 and molecular weight 346.12637 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
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