Neomangiferin
1,3,6-trihydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Also Known As: Neomangiferin|neomangferin|eoMangiferin|Neomangiferin;|Mangiferin 7-glucoside|Mangiferin 7-glucoside;|Neomangiferin (Standard)|Mangiferin-7-O-beta-glucoside|7-O-beta-D-glucopyranosyl-mangiferin|HY-N0723R|Mangiferin-7-O-beta-D-glucoside|HY-N0723|Mangiferin 7-O-beta-D-glucopyranoside|NEOMANGIFERIN (REFERENCE GRADE)|2-amino-N-(2-propynyl)benzenecarboxamide|O908|SID:87225359|J1.029.275A|1,3,6-Trihydroxy-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9H-xanthen-9-one|809N672
| Molecular Formula | C25H28O16 |
|---|---|
| Molecular Weight | 584.13776 g/mol |
| LogP | -3.2434 |
| Topological Polar Surface Area | 280.43 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 5 |
| Exact Mass | 584.13776 |
| Monoisotopic Mass | 584.13776 |
| Heavy Atoms | 41 |
| Complexity | 1500.9587 |
Chemical Identifiers
| CAS Number | 64809-67-2 |
|---|---|
| SMILES | C1=C2C(=CC(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC4=C(C2=O)C(=C(C(=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O |
Product Overview
Neomangiferin (CAS 64809-67-2), with molecular formula C25H28O16 and molecular weight 584.13776 g/mol. IUPAC: 1,3,6-trihydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one.
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