1.0 2010-04-08 22:12:23 UTC 2025-11-19 01:46:36 UTC FDB016364 6''-Acetylcosmosiin Isolated from Matricaria chamomilla (German chamomile). 6''-Acetylcosmosiin is found in german camomile and herbs and spices. 6''-Acetylcosmosiin Apigenin 7-(6''-acetylglucoside) Apigenin 7-O-(6''-O-acetylglucoside) C23H22O11 474.4142 474.116211546 (3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate (3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate 72741-92-5 CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C23H22O11/c1-10(24)31-9-18-20(28)21(29)22(30)23(34-18)32-13-6-14(26)19-15(27)8-16(33-17(19)7-13)11-2-4-12(25)5-3-11/h2-8,18,20-23,25-26,28-30H,9H2,1H3 LYFXRHUNCZZUTQ-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 1.26 ALOGPS logs -3.00 ALOGPS solubility 4.70e-01 g/l ALOGPS logp 0.88 ChemAxon pka_strongest_acidic 8.31 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate ChemAxon average_mass 474.4142 ChemAxon mono_mass 474.116211546 ChemAxon smiles CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C23H22O11 ChemAxon inchi InChI=1S/C23H22O11/c1-10(24)31-9-18-20(28)21(29)22(30)23(34-18)32-13-6-14(26)19-15(27)8-16(33-17(19)7-13)11-2-4-12(25)5-3-11/h2-8,18,20-23,25-26,28-30H,9H2,1H3 ChemAxon inchikey LYFXRHUNCZZUTQ-UHFFFAOYSA-N ChemAxon polar_surface_area 172.21 ChemAxon refractivity 114.21 ChemAxon polarizability 46.42 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22198 Specdb::CMs 45328 Specdb::CMs 153070 Specdb::MsMs 102633 Specdb::MsMs 102634 Specdb::MsMs 102635 Specdb::MsMs 168492 Specdb::MsMs 168493 Specdb::MsMs 168494 Specdb::MsMs 2251212 Specdb::MsMs 2827608 Specdb::MsMs 2827609 Specdb::MsMs 2827610 Specdb::MsMs 2852041 Specdb::MsMs 2852042 Specdb::MsMs 2852043 HMDB37342 #<Reference:0x000055ce32129c50> German camomile Type 1 specific Matricaria recutita 127986 Herbs and Spices Unknown generic