1.0 2010-04-08 22:12:47 UTC 2025-11-19 01:51:26 UTC FDB017003 Myricetin 3,3'-digalactoside Isolated from Myrica gale (bog myrtle). Myricetin 3,3'-digalactoside is found in herbs and spices. 3,3',4',5,5',7-Hexahydroxyflavone 3,3'-di-O-galactoside Myricetin 3,3'-di-O-galactoside Myricetin 3,3'-digalactoside C27H30O18 642.5163 642.143214156 2-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 2-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 28454-81-1 OCC1OC(OC2=CC(=CC(O)=C2O)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)42-12-2-7(1-10(32)16(12)33)24-25(19(36)15-9(31)3-8(30)4-11(15)41-24)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2 FEWRYXXFMHQZRI-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Catechols Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid 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 Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.78 ALOGPS logs -1.97 ALOGPS solubility 6.93e+00 g/l ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 642.5163 ChemAxon mono_mass 642.143214156 ChemAxon smiles OCC1OC(OC2=CC(=CC(O)=C2O)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O ChemAxon formula C27H30O18 ChemAxon inchi InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)42-12-2-7(1-10(32)16(12)33)24-25(19(36)15-9(31)3-8(30)4-11(15)41-24)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2 ChemAxon inchikey FEWRYXXFMHQZRI-UHFFFAOYSA-N ChemAxon polar_surface_area 305.98 ChemAxon refractivity 143.4 ChemAxon polarizability 59.76 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 18 ChemAxon donor_count 12 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21611 Specdb::CMs 623760 Specdb::CMs 623761 Specdb::CMs 623762 Specdb::CMs 623763 Specdb::CMs 623764 Specdb::CMs 623765 Specdb::CMs 623766 Specdb::CMs 623767 Specdb::CMs 623768 Specdb::CMs 623769 Specdb::CMs 623770 Specdb::CMs 623771 Specdb::CMs 623772 Specdb::CMs 623773 Specdb::CMs 623774 Specdb::CMs 623775 Specdb::CMs 623776 Specdb::CMs 623777 Specdb::CMs 623778 Specdb::CMs 623779 Specdb::CMs 623780 Specdb::CMs 623781 Specdb::CMs 623782 Specdb::CMs 623783 Specdb::NmrOneD 23342 Specdb::NmrOneD 23343 Specdb::NmrOneD 23344 Specdb::NmrOneD 23345 Specdb::NmrOneD 23346 Specdb::NmrOneD 23347 Specdb::NmrOneD 23348 Specdb::NmrOneD 23349 Specdb::NmrOneD 23350 Specdb::NmrOneD 23351 Specdb::NmrOneD 23352 Specdb::NmrOneD 23353 Specdb::NmrOneD 23354 Specdb::NmrOneD 23355 Specdb::NmrOneD 23356 Specdb::NmrOneD 23357 Specdb::NmrOneD 23358 Specdb::NmrOneD 23359 Specdb::NmrOneD 23360 Specdb::NmrOneD 23361 Specdb::MsMs 103683 Specdb::MsMs 103684 Specdb::MsMs 103685 Specdb::MsMs 169794 Specdb::MsMs 169795 Specdb::MsMs 169796 Specdb::MsMs 2235695 Specdb::MsMs 2237659 Specdb::MsMs 2239723 Specdb::MsMs 2346185 Specdb::MsMs 2346186 Specdb::MsMs 2346187 Specdb::MsMs 2592496 Specdb::MsMs 2592497 Specdb::MsMs 2592498 HMDB37850 #<Reference:0x000055ce32c6e4d0> Herbs and Spices Unknown generic