1.0 2010-04-08 22:11:52 UTC 2019-11-26 03:11:38 UTC FDB015475 Pallidol 3-glucoside Isolated from Riesling wine. Pallidol 3-glucoside is found in alcoholic beverages. Pallidol 3-glucoside Pallidol 3-O-b-D-glucopyranoside Pallidol 3-O-b-D-glucoside C34H32O11 616.6113 616.194461866 2-(hydroxymethyl)-6-{[6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2(7),3,5,10(15),11,13-hexaen-4-yl]oxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{[6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2(7),3,5,10(15),11,13-hexaen-4-yl]oxy}oxane-3,4,5-triol 617-45-8 OCC1OC(OC2=CC3=C(C(C4C3C(C3=C4C=C(O)C=C3O)C3=CC=C(O)C=C3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O InChI=1S/C34H32O11/c35-13-24-31(41)32(42)33(43)34(45-24)44-19-11-21-28(23(40)12-19)26(15-3-7-17(37)8-4-15)29-20-9-18(38)10-22(39)27(20)25(30(21)29)14-1-5-16(36)6-2-14/h1-12,24-26,29-43H,13H2 LVYZAJNLNYSPIX-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 heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl glycosides Benzene and substituted derivatives Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Indanes Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl glycoside Aromatic heteropolycyclic compound Benzenoid Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Hydrocarbon derivative Indane Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol logp 2.55 ALOGPS logs -3.76 ALOGPS solubility 1.07e-01 g/l ALOGPS logp 3.05 ChemAxon pka_strongest_acidic 9.14 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-(hydroxymethyl)-6-{[6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2(7),3,5,10(15),11,13-hexaen-4-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 616.6113 ChemAxon mono_mass 616.194461866 ChemAxon smiles OCC1OC(OC2=CC3=C(C(C4C3C(C3=C4C=C(O)C=C3O)C3=CC=C(O)C=C3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O ChemAxon formula C34H32O11 ChemAxon inchi InChI=1S/C34H32O11/c35-13-24-31(41)32(42)33(43)34(45-24)44-19-11-21-28(23(40)12-19)26(15-3-7-17(37)8-4-15)29-20-9-18(38)10-22(39)27(20)25(30(21)29)14-1-5-16(36)6-2-14/h1-12,24-26,29-43H,13H2 ChemAxon inchikey LVYZAJNLNYSPIX-UHFFFAOYSA-N ChemAxon polar_surface_area 200.53 ChemAxon refractivity 160.09 ChemAxon polarizability 63.12 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 52743 Specdb::MsMs 52744 Specdb::MsMs 52745 Specdb::MsMs 151365 Specdb::MsMs 151366 Specdb::MsMs 151367 Specdb::MsMs 2313812 Specdb::MsMs 2313813 Specdb::MsMs 2313814 Specdb::MsMs 2652653 Specdb::MsMs 2652654 Specdb::MsMs 2652655 Specdb::CMs 12138 Specdb::CMs 44909 Specdb::CMs 540506 Specdb::CMs 540507 Specdb::CMs 540508 Specdb::CMs 540509 Specdb::CMs 540510 Specdb::CMs 540511 Specdb::CMs 540512 Specdb::CMs 540513 Specdb::CMs 540514 Specdb::CMs 540515 Specdb::CMs 540516 Specdb::CMs 540517 Specdb::CMs 540518 Specdb::CMs 540519 Specdb::CMs 540520 Specdb::CMs 540521 Specdb::CMs 540522 Specdb::CMs 540523 Specdb::CMs 540524 Specdb::CMs 540525 Specdb::CMs 540526 Specdb::CMs 540527 Specdb::CMs 540528 HMDB36569 #<Reference:0x000055ce32c54f58> Alcoholic beverages Unknown generic