1.0 2010-04-08 22:11:13 UTC 2025-11-19 00:45:39 UTC FDB014342 Betulalbuside A Constituent of Chaenomeles japonica (dwarf quince). Betulalbuside A is found in fruits. Betulalbuside A C16H28O7 332.3893 332.18350325 2-{[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 64776-96-1 C\C(COC1OC(CO)C(O)C(O)C1O)=C/CCC(C)(O)C=C InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6+ WEHZDNHJZBEGME-UXBLZVDNSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Hexoses Hydrocarbon derivatives Monocyclic monoterpenoids O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monocyclic monoterpenoid Monosaccharide Monoterpenoid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol logp -0.45 ALOGPS logs -1.50 ALOGPS solubility 1.05e+01 g/l ALOGPS logp -0.4 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 2-{[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 332.3893 ChemAxon mono_mass 332.18350325 ChemAxon smiles C\C(COC1OC(CO)C(O)C(O)C1O)=C/CCC(C)(O)C=C ChemAxon formula C16H28O7 ChemAxon inchi InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6+ ChemAxon inchikey WEHZDNHJZBEGME-UXBLZVDNSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 84.39 ChemAxon polarizability 35.77 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19802 Specdb::CMs 44466 Specdb::CMs 147813 Specdb::MsMs 44175 Specdb::MsMs 44176 Specdb::MsMs 44177 Specdb::MsMs 171513 Specdb::MsMs 171514 Specdb::MsMs 171515 Specdb::MsMs 2774300 Specdb::MsMs 2774301 Specdb::MsMs 2774302 Specdb::MsMs 2904594 Specdb::MsMs 2904595 Specdb::MsMs 2904596 Specdb::NmrOneD 132238 Specdb::NmrOneD 132239 Specdb::NmrOneD 132240 Specdb::NmrOneD 132241 Specdb::NmrOneD 132242 Specdb::NmrOneD 132243 Specdb::NmrOneD 132244 Specdb::NmrOneD 132245 Specdb::NmrOneD 132246 Specdb::NmrOneD 132247 Specdb::NmrOneD 132248 Specdb::NmrOneD 132249 Specdb::NmrOneD 132250 Specdb::NmrOneD 132251 Specdb::NmrOneD 132252 Specdb::NmrOneD 132253 Specdb::NmrOneD 132254 Specdb::NmrOneD 132255 Specdb::NmrOneD 132256 Specdb::NmrOneD 132257 HMDB0035634 Fruits Unknown generic