1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:03 UTC FDB010734 Sphalleroside A Constituent of Foeniculum vulgare (fennel). Sphalleroside A is found in herbs and spices. Sphalleroside A C16H22O8 342.3411 342.13146768 2-[3-hydroxy-2-methoxy-5-(prop-2-en-1-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[3-hydroxy-2-methoxy-5-(prop-2-en-1-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 192324-34-8 COC1=C(O)C=C(CC=C)C=C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H22O8/c1-3-4-8-5-9(18)15(22-2)10(6-8)23-16-14(21)13(20)12(19)11(7-17)24-16/h3,5-6,11-14,16-21H,1,4,7H2,2H3 PCHIAQZAMZOONE-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Ether Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -0.09 ALOGPS logs -1.52 ALOGPS solubility 1.02e+01 g/l ALOGPS melting_point Mp 185-186° (145-147°) logp 0.039 ChemAxon pka_strongest_acidic 9.87 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[3-hydroxy-2-methoxy-5-(prop-2-en-1-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 342.3411 ChemAxon mono_mass 342.13146768 ChemAxon smiles COC1=C(O)C=C(CC=C)C=C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H22O8 ChemAxon inchi InChI=1S/C16H22O8/c1-3-4-8-5-9(18)15(22-2)10(6-8)23-16-14(21)13(20)12(19)11(7-17)24-16/h3,5-6,11-14,16-21H,1,4,7H2,2H3 ChemAxon inchikey PCHIAQZAMZOONE-UHFFFAOYSA-N ChemAxon polar_surface_area 128.84 ChemAxon refractivity 82.91 ChemAxon polarizability 33.93 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13357 Specdb::CMs 42953 Specdb::CMs 169402 Specdb::NmrOneD 115078 Specdb::NmrOneD 115079 Specdb::NmrOneD 115080 Specdb::NmrOneD 115081 Specdb::NmrOneD 115082 Specdb::NmrOneD 115083 Specdb::NmrOneD 115084 Specdb::NmrOneD 115085 Specdb::NmrOneD 115086 Specdb::NmrOneD 115087 Specdb::NmrOneD 115088 Specdb::NmrOneD 115089 Specdb::NmrOneD 115090 Specdb::NmrOneD 115091 Specdb::NmrOneD 115092 Specdb::NmrOneD 115093 Specdb::NmrOneD 115094 Specdb::NmrOneD 115095 Specdb::NmrOneD 115096 Specdb::NmrOneD 115097 Specdb::MsMs 8009 Specdb::MsMs 8010 Specdb::MsMs 8011 Specdb::MsMs 14681 Specdb::MsMs 14682 Specdb::MsMs 14683 Specdb::MsMs 2346749 Specdb::MsMs 2346750 Specdb::MsMs 2346751 Specdb::MsMs 2591539 Specdb::MsMs 2591540 Specdb::MsMs 2591541 HMDB32767 #<Reference:0x000055ce3059a4a8> Herbs and Spices Unknown generic