1.0 2010-04-08 22:12:44 UTC 2019-11-26 03:13:58 UTC FDB016929 2'-C-Methylmyricetin 3-rhamnoside 5'-gallate Constituent of Syzygium samarangense (Java apple) leaves. 2'-C-Methylmyricetin 3-rhamnoside 5'-gallate is found in fruits. 2'-C-Methylmyricetin 3-rhamnoside 5'-gallate 2'-C-Methylmyricetin 3-rhamnoside-5'-gallate 5-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2,3-dihydroxy-4-methylphenyl ester 3,4,5-trihydroxy-benzoic acid C29H26O16 630.5071 630.122084784 5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2,3-dihydroxy-4-methylphenyl 3,4,5-trihydroxybenzoate 5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-2-yl}-2,3-dihydroxy-4-methylphenyl 3,4,5-trihydroxybenzoate 244137-68-6 CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2C)C(O)C(O)C1O InChI=1S/C29H26O16/c1-8-12(7-17(22(37)19(8)34)44-28(41)10-3-14(32)21(36)15(33)4-10)26-27(45-29-25(40)24(39)20(35)9(2)42-29)23(38)18-13(31)5-11(30)6-16(18)43-26/h3-7,9,20,24-25,29-37,39-40H,1-2H3 UETPEBBTEWIQAH-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 Carboxylic acid esters Catechols Chromones Depsides and depsidones Flavones Galloyl esters Heteroaromatic compounds Hexoses Hydrocarbon derivatives Meta cresols Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Ortho cresols Oxacyclic compounds Oxanes Phenol esters Phenoxy compounds Polyols Pyranones and derivatives Pyrogallols and derivatives Secondary alcohols Toluenes Vinylogous acids m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid 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 Carboxylic acid derivative Carboxylic acid ester Catechol Chromone Depside backbone Flavone Flavonoid-3-o-glycoside Gallic acid or derivatives Galloyl ester Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid M-cresol M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-cresol O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid ester Phenol Phenol ester Phenoxy compound Polyol Pyran Pyranone Pyrogallol derivative Secondary alcohol Toluene Vinylogous acid logp 2.41 ALOGPS logs -2.93 ALOGPS solubility 7.33e-01 g/l ALOGPS melting_point Mp 192° dec. logp 2.82 ChemAxon pka_strongest_acidic 6.42 ChemAxon pka_strongest_basic -4 ChemAxon iupac 5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2,3-dihydroxy-4-methylphenyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 630.5071 ChemAxon mono_mass 630.122084784 ChemAxon smiles CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2C)C(O)C(O)C1O ChemAxon formula C29H26O16 ChemAxon inchi InChI=1S/C29H26O16/c1-8-12(7-17(22(37)19(8)34)44-28(41)10-3-14(32)21(36)15(33)4-10)26-27(45-29-25(40)24(39)20(35)9(2)42-29)23(38)18-13(31)5-11(30)6-16(18)43-26/h3-7,9,20,24-25,29-37,39-40H,1-2H3 ChemAxon inchikey UETPEBBTEWIQAH-UHFFFAOYSA-N ChemAxon polar_surface_area 273.36 ChemAxon refractivity 150.52 ChemAxon polarizability 58.74 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 75996 Specdb::MsMs 75997 Specdb::MsMs 75998 Specdb::MsMs 135729 Specdb::MsMs 135730 Specdb::MsMs 135731 Specdb::MsMs 2414164 Specdb::MsMs 2414165 Specdb::MsMs 2414166 Specdb::MsMs 2551043 Specdb::MsMs 2551044 Specdb::MsMs 2551045 Specdb::CMs 21820 Specdb::CMs 582712 Specdb::CMs 582713 Specdb::CMs 582714 Specdb::CMs 582715 Specdb::CMs 582716 Specdb::CMs 582717 Specdb::CMs 582718 Specdb::CMs 582719 Specdb::CMs 582720 Specdb::CMs 582721 Specdb::CMs 582722 Specdb::CMs 582723 Specdb::CMs 582724 Specdb::CMs 582725 Specdb::CMs 582726 Specdb::CMs 582727 Specdb::CMs 582728 Specdb::CMs 582729 Specdb::CMs 582730 Specdb::CMs 582731 Specdb::CMs 582732 Specdb::CMs 582733 Specdb::CMs 582734 Specdb::CMs 582735 HMDB37785 #<Reference:0x000055ce33635798> Fruits Unknown generic