Leptosin
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
Also Known As: Leptosin|(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one|3(2H)-Benzofuranone, 2-((3,4-dihydroxyphenyl)methylene)-6-(beta-D-glucopyranosyloxy)-7-methoxy-, (Z)-|(2Z)-2-((3,4-dihydroxyphenyl)methylidene)-7-methoxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1-benzofuran-3-one|(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzouran-3-one|(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-3-one|2-[(Z)-(3,4-Dihydroxyphenyl)methylene]-6-(beta-D-glucopyranosyloxy)-7-methoxybenzofuran-3(2H)-one|3(2H)-Benzofuranone, 2-[(3,4-dihydroxyphenyl)methylene]-6-(beta-D-glucopyranosyloxy)-7-methoxy-, (2Z)-
| Molecular Formula | C22H22O11 |
|---|---|
| Molecular Weight | 462.1162 g/mol |
| LogP | -0.0987 |
| Topological Polar Surface Area | 175.37 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1162 |
| Monoisotopic Mass | 462.1162 |
| Heavy Atoms | 33 |
| Complexity | 1093.9899 |
Chemical Identifiers
| CAS Number | 486-23-7 |
|---|---|
| SMILES | COC1=C(C=CC2=C1O/C(=C\C3=CC(=C(C=C3)O)O)/C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
Product Overview
Leptosin (CAS 486-23-7), with molecular formula C22H22O11 and molecular weight 462.1162 g/mol. IUPAC: (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one.