1.0 2010-04-08 22:15:20 UTC 2019-11-26 03:19:36 UTC FDB020893 Hydroxytyrosol 1-O-glucoside Constituent of Prunus species Hydroxytyrosol 1-O-glucoside is found in fruits. (-)-3,4-Dihydroxyphenethyl glucoside 3,4-Dihydroxyphenethyl glucoside Hydroxytyrosol 1-O-b-D-glucopyranoside Hydroxytyrosol 1-O-b-D-glucoside Hydroxytyrosol 1-O-glucoside Hydroxytyrosol glucoside C14H20O8 316.3038 316.115817616 2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 76873-99-9 OCC1OC(OCCC2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2 PQQITYGQJLPDFC-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 Catechols Hexoses Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tyrosols and derivatives 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Catechol Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol Polyol Primary alcohol Secondary alcohol Tyrosol derivative logp -1.27 ALOGPS logs -1.48 ALOGPS solubility 1.04e+01 g/l ALOGPS melting_point Mp 40.5-42° (as hexa-Ac) logp -0.88 ChemAxon pka_strongest_acidic 9.45 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 316.3038 ChemAxon mono_mass 316.115817616 ChemAxon smiles OCC1OC(OCCC2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C14H20O8 ChemAxon inchi InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2 ChemAxon inchikey PQQITYGQJLPDFC-UHFFFAOYSA-N ChemAxon polar_surface_area 139.84 ChemAxon refractivity 74 ChemAxon polarizability 31.21 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 44522 Specdb::NmrOneD 44523 Specdb::NmrOneD 44524 Specdb::NmrOneD 44525 Specdb::NmrOneD 44526 Specdb::NmrOneD 44527 Specdb::NmrOneD 44528 Specdb::NmrOneD 44529 Specdb::NmrOneD 44530 Specdb::NmrOneD 44531 Specdb::NmrOneD 44532 Specdb::NmrOneD 44533 Specdb::NmrOneD 44534 Specdb::NmrOneD 44535 Specdb::NmrOneD 44536 Specdb::NmrOneD 44537 Specdb::NmrOneD 44538 Specdb::NmrOneD 44539 Specdb::NmrOneD 44540 Specdb::NmrOneD 44541 Specdb::CMs 12347 Specdb::CMs 47068 Specdb::CMs 171570 Specdb::MsMs 9578 Specdb::MsMs 9579 Specdb::MsMs 9580 Specdb::MsMs 16250 Specdb::MsMs 16251 Specdb::MsMs 16252 Specdb::MsMs 452096 Specdb::MsMs 2369696 Specdb::MsMs 2369697 Specdb::MsMs 2369698 Specdb::MsMs 2568959 Specdb::MsMs 2568960 Specdb::MsMs 2568961 HMDB41024 #<Reference:0x000055ce305c4d20> Fruits Unknown generic