1.0 2010-04-08 22:13:12 UTC 2019-11-26 03:14:57 UTC FDB017612 Myricetin 3-[galloyl-(->2)-4-acetyl-a-L-rhamnoside] Constituent of Eugenia jambolana (jambolan). Myricetin 3-[galloyl-(->2)-4-acetyl-a-L-rhamnoside] is found in fruits. 3,3',4',5,5',7-Hexahydroxyflavone 3-O-[3,4,5-trihydroxybenzoyl-(->2)-4-O-acetyl-a-L-rhamnopyranoside] Eujambin Myricetin 3-[galloyl-(->2)-4-acetyl-a-L-rhamnoside] Myricetin 3-O-[3,4,5-trihydroxybenzoyl-(->2)-4-O-acetyl-a-L-rhamnopyranoside] C30H26O17 658.5172 658.116999406 5-(acetyloxy)-2-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-4-hydroxy-6-methyloxan-3-yl 3,4,5-trihydroxybenzoate 5-(acetyloxy)-2-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy}-4-hydroxy-6-methyloxan-3-yl 3,4,5-trihydroxybenzoate CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1OC(C)=O InChI=1S/C30H26O17/c1-9-25(44-10(2)31)24(41)28(46-29(42)12-5-17(36)22(39)18(37)6-12)30(43-9)47-27-23(40)20-14(33)7-13(32)8-19(20)45-26(27)11-3-15(34)21(38)16(35)4-11/h3-9,24-25,28,30,32-39,41H,1-2H3 PYGGSPJDJQBCNV-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 Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Chromones Dicarboxylic acids and derivatives Flavones Galloyl esters Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Pyrogallols and derivatives Secondary alcohols Vinylogous acids m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 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 Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Dicarboxylic acid or derivatives Flavone Flavonoid-3-o-glycoside Gallic acid or derivatives Galloyl ester Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid M-hydroxybenzoic acid ester Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyran Pyranone Pyrogallol derivative Secondary alcohol Vinylogous acid logp 3.13 ALOGPS logs -2.98 ALOGPS solubility 6.86e-01 g/l ALOGPS logp 2.62 ChemAxon pka_strongest_acidic 6.42 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 5-(acetyloxy)-2-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-4-hydroxy-6-methyloxan-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 658.5172 ChemAxon mono_mass 658.116999406 ChemAxon smiles CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1OC(C)=O ChemAxon formula C30H26O17 ChemAxon inchi InChI=1S/C30H26O17/c1-9-25(44-10(2)31)24(41)28(46-29(42)12-5-17(36)22(39)18(37)6-12)30(43-9)47-27-23(40)20-14(33)7-13(32)8-19(20)45-26(27)11-3-15(34)21(38)16(35)4-11/h3-9,24-25,28,30,32-39,41H,1-2H3 ChemAxon inchikey PYGGSPJDJQBCNV-UHFFFAOYSA-N ChemAxon polar_surface_area 279.43 ChemAxon refractivity 154.63 ChemAxon polarizability 61.07 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21522 Specdb::CMs 658935 Specdb::CMs 658936 Specdb::CMs 658937 Specdb::CMs 658938 Specdb::CMs 658939 Specdb::CMs 658940 Specdb::CMs 658941 Specdb::CMs 658942 Specdb::CMs 658943 Specdb::CMs 658944 Specdb::CMs 658945 Specdb::CMs 658946 Specdb::CMs 658947 Specdb::CMs 658948 Specdb::CMs 658949 Specdb::CMs 658950 Specdb::CMs 658951 Specdb::CMs 658952 Specdb::CMs 658953 Specdb::CMs 658954 Specdb::CMs 658955 Specdb::CMs 658956 Specdb::CMs 658957 Specdb::CMs 658958 Specdb::MsMs 88932 Specdb::MsMs 88933 Specdb::MsMs 88934 Specdb::MsMs 151752 Specdb::MsMs 151753 Specdb::MsMs 151754 Specdb::MsMs 2828603 Specdb::MsMs 2828604 Specdb::MsMs 2828605 Specdb::MsMs 2853103 Specdb::MsMs 2853104 Specdb::MsMs 2853105 HMDB38286 #<Reference:0x000055ce31663c58> Fruits Unknown generic