1.0 2010-04-08 22:15:01 UTC 2019-11-26 03:18:54 UTC FDB020416 3'-(2'',6''-Digalloylglucosyl)-phloroacetophenone Constituent of Syzygium aromaticum (clove). 3'-(2'',6''-Digalloylglucosyl)-phloroacetophenone is found in herbs and spices. 3'-(2'',6''-Digalloylglucosyl)-phloroacetophenone C28H26O17 634.4958 634.116999406 [6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate [6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate 152041-21-9 CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O InChI=1S/C28H26O17/c1-8(29)18-11(30)6-12(31)19(23(18)39)25-26(45-28(42)10-4-15(34)21(37)16(35)5-10)24(40)22(38)17(44-25)7-43-27(41)9-2-13(32)20(36)14(33)3-9/h2-6,17,22,24-26,30-40H,7H2,1H3 OERBJDHTUNHWHD-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 heteromonocyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetophenones Acylphloroglucinols and derivatives Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives C-glycosyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Galloyl esters Hydrocarbon derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Pyrogallols and derivatives Secondary alcohols Vinylogous acids m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1,2-diol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetophenone Acylphloroglucinol derivative Alcohol Alkyl-phenylketone Aromatic heteromonocyclic compound Aryl alkyl ketone Aryl ketone Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl C-glycosyl compound Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Ketone M-hydroxybenzoic acid ester Monocyclic benzene moiety Monosaccharide Organic oxide Organoheterocyclic compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenolic glycoside Phenylketone Phloroglucinol derivative Polyol Pyrogallol derivative Secondary alcohol Vinylogous acid logp 1.96 ALOGPS logs -2.67 ALOGPS solubility 1.36e+00 g/l ALOGPS logp 2.33 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 634.4958 ChemAxon mono_mass 634.116999406 ChemAxon smiles CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O ChemAxon formula C28H26O17 ChemAxon inchi InChI=1S/C28H26O17/c1-8(29)18-11(30)6-12(31)19(23(18)39)25-26(45-28(42)10-4-15(34)21(37)16(35)5-10)24(40)22(38)17(44-25)7-43-27(41)9-2-13(32)20(36)14(33)3-9/h2-6,17,22,24-26,30-40H,7H2,1H3 ChemAxon inchikey OERBJDHTUNHWHD-UHFFFAOYSA-N ChemAxon polar_surface_area 301.43 ChemAxon refractivity 147.05 ChemAxon polarizability 59.28 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 15 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8699 Specdb::MsMs 8700 Specdb::MsMs 8701 Specdb::MsMs 15371 Specdb::MsMs 15372 Specdb::MsMs 15373 Specdb::MsMs 2449825 Specdb::MsMs 2449826 Specdb::MsMs 2449827 Specdb::MsMs 2485962 Specdb::MsMs 2485963 Specdb::MsMs 2485964 Specdb::CMs 24557 Specdb::CMs 591477 Specdb::CMs 591478 Specdb::CMs 591479 Specdb::CMs 591480 Specdb::CMs 591481 Specdb::CMs 591482 Specdb::CMs 591483 Specdb::CMs 591484 Specdb::CMs 591485 Specdb::CMs 591486 Specdb::CMs 591487 Specdb::CMs 591488 Specdb::CMs 591489 Specdb::CMs 591490 Specdb::CMs 591491 Specdb::CMs 591492 Specdb::CMs 591493 Specdb::CMs 591494 Specdb::CMs 591495 Specdb::CMs 591496 Specdb::CMs 591497 Specdb::CMs 591498 Specdb::CMs 591499 Specdb::CMs 591500 HMDB40625 #<Reference:0x000055ce320a3948> Herbs and Spices Unknown generic