1.0 2019-10-15 20:22:06 UTC 2019-10-15 20:22:10 UTC FDB093623 3,5-Dihydroxycinnamic acid glucuronide C15H16O10 356.283 356.074346715 (2R,4R,6R)-6-{3-[(1E)-2-carboxyeth-1-en-1-yl]-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (2R,4R,6R)-6-{3-[(1E)-2-carboxyeth-1-en-1-yl]-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid [H]\C(=C(\[H])C1=CC(O)=CC(O[C@@]2([H])O[C@@]([H])(C(O)=O)C([H])(O)[C@@]([H])(O)C2([H])O)=C1)C(O)=O InChI=1S/C15H16O10/c16-7-3-6(1-2-9(17)18)4-8(5-7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b2-1+/t10-,11?,12?,13-,15+/m1/s1 YIAFSKCUHLQEAH-MEPLRXLMSA-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Cinnamic acids Coumaric acids and derivatives Dicarboxylic acids and derivatives Hexoses Hydrocarbon derivatives Hydroxycinnamic acids O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Pyrans Secondary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-o-glucuronide Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cinnamic acid Cinnamic acid or derivatives Coumaric acid or derivatives Dicarboxylic acid or derivatives Glucuronic acid or derivatives Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Hydroxycinnamic acid Hydroxycinnamic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Secondary alcohol Styrene logp 0.56 ALOGPS logs -1.78 ALOGPS solubility 5.97e+00 g/l ALOGPS logp -0.42 ChemAxon pka_strongest_acidic 2.95 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2R,4R,6R)-6-{3-[(1E)-2-carboxyeth-1-en-1-yl]-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 356.283 ChemAxon mono_mass 356.074346715 ChemAxon smiles [H]\C(=C(\[H])C1=CC(O)=CC(O[C@@]2([H])O[C@@]([H])(C(O)=O)C([H])(O)[C@@]([H])(O)C2([H])O)=C1)C(O)=O ChemAxon formula C15H16O10 ChemAxon inchi InChI=1S/C15H16O10/c16-7-3-6(1-2-9(17)18)4-8(5-7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b2-1+/t10-,11?,12?,13-,15+/m1/s1 ChemAxon inchikey YIAFSKCUHLQEAH-MEPLRXLMSA-N ChemAxon polar_surface_area 173.98 ChemAxon refractivity 79.03 ChemAxon polarizability 32.79 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 158953 Specdb::MsMs 2427244 Specdb::MsMs 2427245 Specdb::MsMs 2427246 Specdb::MsMs 2512428 Specdb::MsMs 2512429 Specdb::MsMs 2512430 Specdb::NmrOneD 73532 Specdb::NmrOneD 73533 Specdb::NmrOneD 73534 Specdb::NmrOneD 73535 Specdb::NmrOneD 73536 Specdb::NmrOneD 73537 Specdb::NmrOneD 73538 Specdb::NmrOneD 73539 Specdb::NmrOneD 73540 Specdb::NmrOneD 73541 Specdb::NmrOneD 73542 Specdb::NmrOneD 73543 Specdb::NmrOneD 73544 Specdb::NmrOneD 73545 Specdb::NmrOneD 73546 Specdb::NmrOneD 73547 Specdb::NmrOneD 73548 Specdb::NmrOneD 73549 Specdb::NmrOneD 73550 Specdb::NmrOneD 73551 FOBI:08815