1.0 2010-04-08 22:09:48 UTC 2019-11-26 03:05:22 UTC FDB011752 Estragonoside Constituent of Artemisia dracunculus (tarragon). Estragonoside is found in herbs and spices. Estragonoside C22H22O12 478.4029 478.111126168 5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one 5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one 181020-33-7 COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(O)=C(O)C(OC3OC(C)C(O)C(O)C3O)=C2O1 InChI=1S/C22H22O12/c1-7-14(25)16(27)19(30)22(32-7)34-21-18(29)17(28)15(26)13-10(24)6-11(33-20(13)21)8-3-4-9(23)12(5-8)31-2/h3-7,14,16,19,22-23,25-30H,1-2H3 HOQOGRHHARLRBG-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-8-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C8-position. Flavonoid-8-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-8-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 1.53 ALOGPS logs -2.49 ALOGPS solubility 1.55e+00 g/l ALOGPS melting_point Mp 192-195° logp 0.72 ChemAxon pka_strongest_acidic 7.32 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 478.4029 ChemAxon mono_mass 478.111126168 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(O)=C(O)C(OC3OC(C)C(O)C(O)C3O)=C2O1 ChemAxon formula C22H22O12 ChemAxon inchi InChI=1S/C22H22O12/c1-7-14(25)16(27)19(30)22(32-7)34-21-18(29)17(28)15(26)13-10(24)6-11(33-20(13)21)8-3-4-9(23)12(5-8)31-2/h3-7,14,16,19,22-23,25-30H,1-2H3 ChemAxon inchikey HOQOGRHHARLRBG-UHFFFAOYSA-N ChemAxon polar_surface_area 195.6 ChemAxon refractivity 113.94 ChemAxon polarizability 45.35 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69399 Specdb::MsMs 69400 Specdb::MsMs 69401 Specdb::MsMs 127665 Specdb::MsMs 127666 Specdb::MsMs 127667 Specdb::MsMs 2764743 Specdb::MsMs 2764744 Specdb::MsMs 2764745 Specdb::MsMs 2943655 Specdb::MsMs 2943656 Specdb::MsMs 2943657 Specdb::CMs 10222 Specdb::CMs 43412 Specdb::CMs 161446 Specdb::CMs 161448 Specdb::CMs 161450 Specdb::CMs 161452 Specdb::CMs 161454 Specdb::CMs 161456 Specdb::CMs 161458 Specdb::CMs 161460 Specdb::CMs 161463 Specdb::CMs 161465 Specdb::CMs 161466 Specdb::CMs 161469 Specdb::CMs 161471 Specdb::CMs 161472 Specdb::CMs 161474 Specdb::CMs 164403 Specdb::CMs 280344 HMDB33650 #<Reference:0x000055ce32094f88> Herbs and Spices Unknown generic