Neomangiferin structure

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

CAS: 64809-67-2
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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