1.0 2010-04-08 22:12:57 UTC 2025-11-19 01:52:34 UTC FDB017202 Delphinidin 3-galactoside Isolated from Empetrum nigrum, Nymphaea x marliacea and other plant subspecies [CCD]. Delphinidin 3-galactoside is found in many foods, some of which are red raspberry, summer grape, bilberry, and lingonberry. Delphinidin 3-galactoside Delphinidin 3-O-beta-D-galactopyranoside Delphinidin 3-O-galactoside Empetrin C21H21O12 465.3842 465.103301136 5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium 5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium 68852-84-6 OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1 XENHPQQLDPAYIJ-UHFFFAOYSA-O belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Diterpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Carbonyl compounds Carboxylic acid esters Diterpenoids Fatty acyl glycosides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diterpene glycoside Diterpenoid Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 0.93 ALOGPS logs -2.77 ALOGPS solubility 8.54e-01 g/l ALOGPS melting_point Mp 185 dec. (anhyd.) logp 0.1 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium ChemAxon average_mass 465.3842 ChemAxon mono_mass 465.103301136 ChemAxon smiles OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O ChemAxon formula C21H21O12 ChemAxon inchi InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1 ChemAxon inchikey XENHPQQLDPAYIJ-UHFFFAOYSA-O ChemAxon polar_surface_area 213.67 ChemAxon refractivity 118.24 ChemAxon polarizability 43.56 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 54268 Specdb::CMs 60559 Specdb::CMs 157658 Specdb::CMs 158945 Specdb::CMs 158947 Specdb::CMs 158949 Specdb::CMs 158951 Specdb::CMs 158954 Specdb::CMs 158955 Specdb::CMs 158957 Specdb::CMs 158959 Specdb::CMs 158961 Specdb::CMs 158962 Specdb::CMs 158965 Specdb::CMs 158967 Specdb::CMs 158969 Specdb::CMs 158971 Specdb::CMs 158973 Specdb::CMs 280256 Specdb::MsMs 64113 Specdb::MsMs 64114 Specdb::MsMs 64115 Specdb::MsMs 121179 Specdb::MsMs 121180 Specdb::MsMs 121181 Specdb::MsMs 2777159 Specdb::MsMs 2777160 Specdb::MsMs 2777161 Amaranth Type 1 specific Amaranthus 3564 American cranberry Type 1 specific Vaccinium macrocarpon 13750 0.0 0.0 0.0 mg/100 g Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Bilberry Type 1 specific Vaccinium myrtillus 180763 75.4 75.4 75.4 mg/100 g Black chokeberry Type 1 specific Photinia melanocarpa 661339 0.0 0.0 0.0 mg/100 g Black crowberry Type 1 specific Empetrum nigrum 191066 Black tea Type 1 Blackcurrant Type 1 specific Ribes nigrum 78511 0.0 0.0 0.0 mg/100 g Breakfast cereal Type 2 specific Bulgur Type 2 specific Canada blueberry Type 1 specific Vaccinium myrtilloides 1503870 Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common grape Type 1 specific Vitis vinifera 29760 0.0 0.0 0.0 mg/100 g Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Flour Type 2 specific Green tea Type 1 Hard wheat Type 1 specific Triticum durum 4567 Herbal tea Type 1 Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 20.501385 20.501385117 20.501385117 mg/100 g Lingonberry Type 1 specific Vaccinium vitis-idaea 180772 0.0 0.0 0.0 mg/100 g Lowbush blueberry Type 1 specific Vaccinium angustifolium 472369 9.090755 16.144509697 2.03700006 mg/100 g Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Rabbiteye blueberry Type 1 specific Vaccinium virgatum Red raspberry Type 1 specific Rubus idaeus 32247 0.0 0.0 0.0 mg/100 g Red rice Type 1 specific Oryza rufipogon 4529 Red tea Type 1 Rice Type 1 specific Oryza sativa 4530 Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.0 0.0 0.0 mg/100 g Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Sparkleberry Type 1 specific Vaccinium arboreum 229201 Spelt Type 1 specific Triticum spelta 58933 Strawberry Type 1 specific Fragaria X ananassa 3747 0.0 0.0 0.0 mg/100 g Summer grape Type 1 specific Vitis aestivalis 3605 0.0 0.0 0.0 mg/100 g Sweet cherry Type 1 specific Prunus avium 42229 0.0 0.0 0.0 mg/100 g Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Tea Type 1 specific Camellia sinensis 4442 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949