1.0 2010-04-08 22:13:34 UTC 2025-11-19 02:10:04 UTC FDB018196 2'',6''-Diacetylorientin Isolated from Rumex acetosa (sorrel). 2'',6''-Diacetylorientin is found in herbs and spices and sorrel. 2'',6''-Diacetylorientin Orientin 2'',6''-diacetate C25H24O13 532.4503 532.121690854 [5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate [5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate 131507-99-8 CC(=O)OCC1OC(C(OC(C)=O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC(O)=C(O)C=C1 InChI=1S/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3 IOPSQVHEVILLRN-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Flavonoid 8-C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives C-glycosyl compounds Carbonyl compounds Carboxylic acid esters Catechols Chromones Dialkyl ethers Dicarboxylic acids and derivatives Flavones Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Pyranones and derivatives Secondary alcohols Vinylogous acids 1,2-diol 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Chromone Dialkyl ether Dicarboxylic acid or derivatives Ether Flavone Flavonoid-8-c-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Pyran Pyranone Secondary alcohol Vinylogous acid logp 2.52 ALOGPS logs -2.74 ALOGPS solubility 9.73e-01 g/l ALOGPS melting_point Mp 175-176° logp 0.53 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate ChemAxon average_mass 532.4503 ChemAxon mono_mass 532.121690854 ChemAxon smiles CC(=O)OCC1OC(C(OC(C)=O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC(O)=C(O)C=C1 ChemAxon formula C25H24O13 ChemAxon inchi InChI=1S/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3 ChemAxon inchikey IOPSQVHEVILLRN-UHFFFAOYSA-N ChemAxon polar_surface_area 209.51 ChemAxon refractivity 126.32 ChemAxon polarizability 50.76 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11993 Specdb::MsMs 11994 Specdb::MsMs 11995 Specdb::MsMs 18665 Specdb::MsMs 18666 Specdb::MsMs 18667 Specdb::MsMs 2748268 Specdb::MsMs 2748269 Specdb::MsMs 2748270 Specdb::MsMs 2933676 Specdb::MsMs 2933677 Specdb::MsMs 2933678 Specdb::CMs 22080 Specdb::CMs 46047 Specdb::CMs 204690 Specdb::CMs 204692 Specdb::CMs 204694 Specdb::CMs 204696 Specdb::CMs 204698 Specdb::CMs 204700 Specdb::CMs 204702 Specdb::CMs 204704 Specdb::CMs 204705 Specdb::CMs 204707 Specdb::CMs 204709 Specdb::CMs 204711 Specdb::CMs 204713 Specdb::CMs 204715 Specdb::CMs 204717 Specdb::CMs 204719 Specdb::CMs 204721 Specdb::CMs 204723 Specdb::CMs 204725 Specdb::CMs 204726 Specdb::CMs 204728 Specdb::CMs 204730 Specdb::CMs 204732 HMDB38777 #<Reference:0x000055ce3194a750> Herbs and Spices Unknown generic Sorrel Type 1 specific Rumex acetosa 41241