1.0 2010-04-08 22:12:56 UTC 2019-11-26 03:14:24 UTC FDB017194 Delphinidin 3-(6''-E-p-coumaroylglucoside) 5-glucoside Isolated from grapes. Delphinidin 3-(6''-E-p-coumaroylglucoside) 5-glucoside is found in hyssop, fruits, and common grape. Awobanin Awobannin Delphinidin 3-(6''-E-p-coumaroylglucoside) 5-glucoside Delphinidin-3-(6-O-P-coumarylglucoside)-5-glucoside Malonylawobanin C36H37O19 773.6676 773.192904002 7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium 7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium 64615-55-0 OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1 HXWHJZIJSNBCJX-UHFFFAOYSA-O belongs to the class of organic compounds known as flavonoid 3-o-p-coumaroyl glycosides. These are flavonoid 3-O-glycosides where the carbohydrate moiety is esterified with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring. Flavonoid 3-O-p-coumaroyl glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Acetals Anthocyanidin-3-O-glycosides Anthocyanidin-5-O-glycosides Anthocyanidins Carbonyl compounds Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic cations Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyrogallols and derivatives Secondary alcohols Styrenes 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Anthocyanidin Anthocyanidin-3-o-glycoside Anthocyanidin-5-o-glycoside Anthocyanin Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Flavonoid 3-o-6-p-coumaroyl-glycoside Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyrogallol derivative Secondary alcohol Styrene logp 1.72 ALOGPS logs -3.40 ALOGPS solubility 3.21e-01 g/l ALOGPS logp 0.85 ChemAxon pka_strongest_acidic 6.61 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium ChemAxon average_mass 773.6676 ChemAxon mono_mass 773.192904002 ChemAxon smiles OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O ChemAxon formula C36H37O19 ChemAxon inchi InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1 ChemAxon inchikey HXWHJZIJSNBCJX-UHFFFAOYSA-O ChemAxon polar_surface_area 319.12 ChemAxon refractivity 191.93 ChemAxon polarizability 73.28 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 17 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 56037 Specdb::MsMs 56038 Specdb::MsMs 56039 Specdb::MsMs 111348 Specdb::MsMs 111349 Specdb::MsMs 111350 Specdb::MsMs 2555724 Specdb::MsMs 2555725 Specdb::MsMs 2555726 Specdb::CMs 784239 Specdb::CMs 784240 Specdb::CMs 784241 Specdb::CMs 784242 Specdb::CMs 784243 Specdb::CMs 784244 Specdb::CMs 784245 Specdb::CMs 784246 Specdb::CMs 784247 Specdb::CMs 784248 Specdb::CMs 784249 Specdb::CMs 784250 Specdb::CMs 784251 Specdb::CMs 784252 Specdb::CMs 784253 Specdb::CMs 784254 Specdb::CMs 784255 Specdb::CMs 784256 Specdb::CMs 784257 Specdb::CMs 784258 Specdb::CMs 784259 Specdb::CMs 784260 HMDB38000 #<Reference:0x000055ce30748188> Common grape Type 1 specific Vitis vinifera 29760 Fruits Unknown generic Hyssop Type 1 specific Hyssopus officinalis 39324