1.0 2010-04-08 22:07:20 UTC 2025-11-18 23:02:55 UTC FDB006855 Desoxyrhaponticin Desoxyrhaponticin is a member of the class of compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Desoxyrhaponticin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Desoxyrhaponticin can be found in garden rhubarb, which makes desoxyrhaponticin a potential biomarker for the consumption of this food product. 4'-O-Methyl piceid C21H24O8 404.4105 404.147117744 (2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol (2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 27208-80-6 COC1=CC=C(\C=C\C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1 InChI=1S/C21H24O8/c1-27-15-6-4-12(5-7-15)2-3-13-8-14(23)10-16(9-13)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1 MFMQRDLLSRLUJY-DXKBKAGUSA-N belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Stilbene glycosides Organic compounds Phenylpropanoids and polyketides Stilbenes Stilbene glycosides Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Hexoses Hydrocarbon derivatives Methoxybenzenes O-glycosyl compounds Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Stilbene glycoside Styrene logp 1.11 ALOGPS logs -2.85 ALOGPS solubility 5.72e-01 g/l ALOGPS logp 1.28 ChemAxon pka_strongest_acidic 9.33 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 404.4105 ChemAxon mono_mass 404.147117744 ChemAxon smiles COC1=CC=C(\C=C\C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1 ChemAxon formula C21H24O8 ChemAxon inchi InChI=1S/C21H24O8/c1-27-15-6-4-12(5-7-15)2-3-13-8-14(23)10-16(9-13)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1 ChemAxon inchikey MFMQRDLLSRLUJY-DXKBKAGUSA-N ChemAxon polar_surface_area 128.84 ChemAxon refractivity 104.08 ChemAxon polarizability 41.88 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67020 Specdb::MsMs 67021 Specdb::MsMs 67022 Specdb::MsMs 124740 Specdb::MsMs 124741 Specdb::MsMs 124742 Specdb::MsMs 3603386 Specdb::MsMs 3603387 Specdb::MsMs 3603388 Specdb::MsMs 3603389 Specdb::MsMs 3603390 Specdb::MsMs 3603391 Garden rhubarb Type 1 specific Rheum rhabarbarum 3621