1.0 2010-04-08 22:12:23 UTC 2025-11-19 01:46:36 UTC FDB016366 3'',4''-Diacetylcosmosiin Isolated from Matricaria chamomilla (German chamomile). 3'',4''-Diacetylcosmosiin is found in german camomile and herbs and spices. 3'',4''-Diacetylcosmosiin Apigenin 7-(3'',4''-diacetylglucoside) C25H24O12 516.4509 516.126776232 3-(acetyloxy)-5-hydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-2-(hydroxymethyl)oxan-4-yl acetate 3-(acetyloxy)-5-hydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-2-(hydroxymethyl)oxan-4-yl acetate 84323-21-7 CC(=O)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C1OC(C)=O InChI=1S/C25H24O12/c1-11(27)33-23-20(10-26)37-25(22(32)24(23)34-12(2)28)35-15-7-16(30)21-17(31)9-18(36-19(21)8-15)13-3-5-14(29)6-4-13/h3-9,20,22-26,29-30,32H,10H2,1-2H3 CMWPZWGBXSNJLC-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 Dicarboxylic acids and derivatives Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Primary alcohols 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 Dicarboxylic acid or derivatives Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 2.00 ALOGPS logs -3.18 ALOGPS solubility 3.38e-01 g/l ALOGPS logp 1.32 ChemAxon pka_strongest_acidic 8.31 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-(acetyloxy)-5-hydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-2-(hydroxymethyl)oxan-4-yl acetate ChemAxon average_mass 516.4509 ChemAxon mono_mass 516.126776232 ChemAxon smiles CC(=O)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C1OC(C)=O ChemAxon formula C25H24O12 ChemAxon inchi InChI=1S/C25H24O12/c1-11(27)33-23-20(10-26)37-25(22(32)24(23)34-12(2)28)35-15-7-16(30)21-17(31)9-18(36-19(21)8-15)13-3-5-14(29)6-4-13/h3-9,20,22-26,29-30,32H,10H2,1-2H3 ChemAxon inchikey CMWPZWGBXSNJLC-UHFFFAOYSA-N ChemAxon polar_surface_area 178.28 ChemAxon refractivity 123.36 ChemAxon polarizability 50.85 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9465 Specdb::CMs 45330 Specdb::MsMs 68184 Specdb::MsMs 68185 Specdb::MsMs 68186 Specdb::MsMs 126159 Specdb::MsMs 126160 Specdb::MsMs 126161 Specdb::MsMs 2341671 Specdb::MsMs 2341672 Specdb::MsMs 2341673 Specdb::MsMs 2593276 Specdb::MsMs 2593277 Specdb::MsMs 2593278 HMDB37344 #<Reference:0x000055ce323674e0> German camomile Type 1 specific Matricaria recutita 127986 Herbs and Spices Unknown generic