1.0 2019-10-16 14:43:01 UTC 2019-10-16 14:43:01 UTC FDB093762 Tyrosol glucuronide C14H18O8 314.29 314.10016754 (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid [H][C@@]1(OC2=CC=C(CCO)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C14H18O8/c15-6-5-7-1-3-8(4-2-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-4,9-12,14-18H,5-6H2,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1 HEIHXCBRTPYOMU-BYNIDDHOSA-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 Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Pyrans Secondary alcohols Tyrosols and derivatives 1-o-glucuronide Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Secondary alcohol Tyrosol derivative logp -0.88 ALOGPS logs -1.40 ALOGPS solubility 1.26e+01 g/l ALOGPS logp -0.76 ChemAxon pka_strongest_acidic 3.28 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid ChemAxon average_mass 314.29 ChemAxon mono_mass 314.10016754 ChemAxon smiles [H][C@@]1(OC2=CC=C(CCO)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C14H18O8 ChemAxon inchi InChI=1S/C14H18O8/c15-6-5-7-1-3-8(4-2-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-4,9-12,14-18H,5-6H2,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1 ChemAxon inchikey HEIHXCBRTPYOMU-BYNIDDHOSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 71.62 ChemAxon polarizability 30.48 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 134785 Specdb::CMs 142519 Specdb::MsMs 2325756 Specdb::MsMs 2325757 Specdb::MsMs 2325758 Specdb::MsMs 2612524 Specdb::MsMs 2612525 Specdb::MsMs 2612526 Specdb::NmrOneD 75592 Specdb::NmrOneD 75593 Specdb::NmrOneD 75594 Specdb::NmrOneD 75595 Specdb::NmrOneD 75596 Specdb::NmrOneD 75597 Specdb::NmrOneD 75598 Specdb::NmrOneD 75599 Specdb::NmrOneD 75600 Specdb::NmrOneD 75601 Specdb::NmrOneD 75602 Specdb::NmrOneD 75603 Specdb::NmrOneD 75604 Specdb::NmrOneD 75605 Specdb::NmrOneD 75606 Specdb::NmrOneD 75607 Specdb::NmrOneD 75608 Specdb::NmrOneD 75609 Specdb::NmrOneD 75610 Specdb::NmrOneD 75611 FOBI:030580