1.0 2010-04-08 22:13:14 UTC 2025-11-19 01:56:06 UTC FDB017667 2-(3-Hydroxyphenyl)ethanol 1'-glucoside Constituent of Sambucus nigra (elderberry). 2-(3-Hydroxyphenyl)ethanol 1'-glucoside is found in fruits. 2-(3-Hydroxyphenyl)ethanol 1'-glucoside 2-(3-Hydroxyphenyl)ethanol 1'-O-b-D-glucopyranoside C14H20O7 300.3044 300.120902994 2-(hydroxymethyl)-6-[2-(3-hydroxyphenyl)ethoxy]oxane-3,4,5-triol 2-(hydroxymethyl)-6-[2-(3-hydroxyphenyl)ethoxy]oxane-3,4,5-triol OCC1OC(OCCC2=CC(O)=CC=C2)C(O)C(O)C1O InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-5-4-8-2-1-3-9(16)6-8/h1-3,6,10-19H,4-5,7H2 DIGNKQFJIIKEBA-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds 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 Benzene and substituted derivatives Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol Polyol Primary alcohol Secondary alcohol logp -1.17 ALOGPS logs -1.30 ALOGPS solubility 1.49e+01 g/l ALOGPS logp -0.58 ChemAxon pka_strongest_acidic 10.05 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-[2-(3-hydroxyphenyl)ethoxy]oxane-3,4,5-triol ChemAxon average_mass 300.3044 ChemAxon mono_mass 300.120902994 ChemAxon smiles OCC1OC(OCCC2=CC(O)=CC=C2)C(O)C(O)C1O ChemAxon formula C14H20O7 ChemAxon inchi InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-5-4-8-2-1-3-9(16)6-8/h1-3,6,10-19H,4-5,7H2 ChemAxon inchikey DIGNKQFJIIKEBA-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 72.02 ChemAxon polarizability 30.27 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10573 Specdb::CMs 45766 Specdb::CMs 174843 Specdb::NmrOneD 25782 Specdb::NmrOneD 25783 Specdb::NmrOneD 25784 Specdb::NmrOneD 25785 Specdb::NmrOneD 25786 Specdb::NmrOneD 25787 Specdb::NmrOneD 25788 Specdb::NmrOneD 25789 Specdb::NmrOneD 25790 Specdb::NmrOneD 25791 Specdb::NmrOneD 25792 Specdb::NmrOneD 25793 Specdb::NmrOneD 25794 Specdb::NmrOneD 25795 Specdb::NmrOneD 25796 Specdb::NmrOneD 25797 Specdb::NmrOneD 25798 Specdb::NmrOneD 25799 Specdb::NmrOneD 25800 Specdb::NmrOneD 25801 Specdb::MsMs 12413 Specdb::MsMs 12414 Specdb::MsMs 12415 Specdb::MsMs 19085 Specdb::MsMs 19086 Specdb::MsMs 19087 Specdb::MsMs 2789512 Specdb::MsMs 2789513 Specdb::MsMs 2789514 Specdb::MsMs 2919728 Specdb::MsMs 2919729 Specdb::MsMs 2919730 HMDB38332 #<Reference:0x000055ce326b0ac0> Fruits Unknown generic