Ipolearoside
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;3-hydroxy-11-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexadecanoic acid;2-methyl-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxane-3,4,5-triol
Also Known As: IPOLEAROSIDE|6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 3-hydroxy-11-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexadecanoic acid; 2-methyl-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxane-3,4,5-triol
| Molecular Formula | C40H76O23 |
|---|---|
| Molecular Weight | 924.4777 g/mol |
| LogP | -4.2177 |
| Topological Polar Surface Area | 396.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 19 |
| Exact Mass | 924.4777 |
| Monoisotopic Mass | 924.4777 |
| Heavy Atoms | 63 |
| Complexity | 965.0 |
Chemical Identifiers
| CAS Number | 50867-38-4 |
|---|---|
| SMILES | CCCCCC(CCCCCCCC(CC(=O)O)O)OC1C(C(C(C(O1)C)O)O)O.CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)C)O)O)O.C(C1C(C(C(C(O1)O)O)O)O)O |
| InChIKey | UFBDGBNOGRHXFT-UHFFFAOYSA-N |
Product Overview
Ipolearoside (CAS 50867-38-4), with molecular formula C40H76O23 and molecular weight 924.4777 g/mol. IUPAC: 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;3-hydroxy-11-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexadecanoic acid;2-methyl-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxane-3,4,5-triol.
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