1.0 2010-04-08 22:12:57 UTC 2025-11-19 01:52:35 UTC FDB017204 Delphinidin 3-(6-p-coumaroylglucoside) Isolated from grapes. Delphinidin 3-(6-p-coumaroylglucoside) is found in many foods, some of which are summer grape, highbush blueberry, mung bean, and fruits. Delphinidin 3-(6-coumaroylglucoside) C30H27O14 611.527 611.140080572 5,7-dihydroxy-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 5,7-dihydroxy-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 339080-03-4 OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1 DHTPVCYNNWQRMN-UHFFFAOYSA-O 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-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Acetals Carbonyl compounds Carboximidic acids Cinnamic acids Coumaric acids Heteroaromatic compounds Hydrocarbon derivatives Hydroxycinnamic acids Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic cations Organic oxides Oxacyclic compounds Oxanes Polyols Pyrogallols and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Carbonyl group Carboximidic acid Carboxylic acid derivative Cinnamic acid Cinnamic acid or derivatives Coumaric acid Coumaric acid or derivatives Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid 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 Polyol Pyrogallol derivative Secondary alcohol Styrene Vinylogous acid logp 3.08 ALOGPS logs -3.75 ALOGPS solubility 1.14e-01 g/l ALOGPS logp 3.52 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5,7-dihydroxy-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 611.527 ChemAxon mono_mass 611.140080572 ChemAxon smiles OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O ChemAxon formula C30H27O14 ChemAxon inchi InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1 ChemAxon inchikey DHTPVCYNNWQRMN-UHFFFAOYSA-O ChemAxon polar_surface_area 239.97 ChemAxon refractivity 159.79 ChemAxon polarizability 59.04 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 107664 Specdb::MsMs 107665 Specdb::MsMs 107666 Specdb::MsMs 174693 Specdb::MsMs 174694 Specdb::MsMs 174695 Specdb::MsMs 2977235 Specdb::MsMs 2977236 Specdb::MsMs 2977237 Specdb::CMs 23092 Specdb::CMs 45229 Specdb::CMs 520736 Specdb::CMs 520737 Specdb::CMs 520738 Specdb::CMs 520739 Specdb::CMs 520740 Specdb::CMs 520741 Specdb::CMs 520742 Specdb::CMs 520743 Specdb::CMs 520744 Specdb::CMs 520745 Specdb::CMs 520746 Specdb::CMs 520747 Specdb::CMs 520748 Specdb::CMs 520749 Specdb::CMs 520750 Specdb::CMs 520751 Specdb::CMs 520752 Specdb::CMs 520753 Specdb::CMs 520754 Specdb::CMs 520755 Specdb::CMs 520756 Specdb::CMs 520757 Specdb::CMs 520758 HMDB37089 #<Reference:0x000055ce32365d20> Common grape Type 1 specific Vitis vinifera 29760 0.0 0.0 0.0 mg/100 g Fruits Unknown generic Grape wine Type 2 specific 0.183868 0.183867715 0.183867715 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0 0.0 0.0 mg/100 g Mung bean Type 1 specific Vigna radiata 157791 Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.0 0.0 0.0 mg/100 g Summer grape Type 1 specific Vitis aestivalis 3605 6.19 6.190000057 6.190000057 mg/100 g