1.0 2010-04-08 22:12:13 UTC 2025-11-19 01:43:06 UTC FDB016081 Delphinidin 3-lathyroside 5-(6''-acetylglucoside) Isolated from purple pea pods. Delphinidin 3-lathyroside 5-(6''-acetylglucoside) is found in pulses. Delphinidin 5-(6-acetylglucoside) 3-lathyroside C34H41O22 801.6761 801.208947996 5-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium 5-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium 528-53-0 CC(=O)OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O InChI=1S/C34H40O22/c1-10(36)49-9-21-25(44)26(45)29(48)33(55-21)52-18-5-12(37)4-17-13(18)6-19(30(51-17)11-2-14(38)22(41)15(39)3-11)53-34-31(27(46)24(43)20(7-35)54-34)56-32-28(47)23(42)16(40)8-50-32/h2-6,16,20-21,23-29,31-35,40,42-48H,7-9H2,1H3,(H3-,37,38,39,41)/p+1 BPKSCEYQFADAOR-UHFFFAOYSA-O belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Anthocyanidin-5-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 Anthocyanidin-3-O-glycosides Anthocyanidins Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Disaccharides Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic cations Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyrogallols and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Anthocyanidin Anthocyanidin-3-o-glycoside Anthocyanidin-5-o-glycoside Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Disaccharide Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety 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 logp 0.04 ALOGPS logs -2.52 ALOGPS solubility 2.51e+00 g/l ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 6.61 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium ChemAxon average_mass 801.6761 ChemAxon mono_mass 801.208947996 ChemAxon smiles CC(=O)OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O ChemAxon formula C34H41O22 ChemAxon inchi InChI=1S/C34H40O22/c1-10(36)49-9-21-25(44)26(45)29(48)33(55-21)52-18-5-12(37)4-17-13(18)6-19(30(51-17)11-2-14(38)22(41)15(39)3-11)53-34-31(27(46)24(43)20(7-35)54-34)56-32-28(47)23(42)16(40)8-50-32/h2-6,16,20-21,23-29,31-35,40,42-48H,7-9H2,1H3,(H3-,37,38,39,41)/p+1 ChemAxon inchikey BPKSCEYQFADAOR-UHFFFAOYSA-O ChemAxon polar_surface_area 357.81 ChemAxon refractivity 185.99 ChemAxon polarizability 76.13 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 20 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 65508 Specdb::MsMs 65509 Specdb::MsMs 65510 Specdb::MsMs 122919 Specdb::MsMs 122920 Specdb::MsMs 122921 Specdb::MsMs 3089290 Specdb::MsMs 3089291 Specdb::MsMs 3089292 Specdb::NmrOneD 138850 Specdb::NmrOneD 138851 Specdb::NmrOneD 138852 Specdb::NmrOneD 138853 Specdb::NmrOneD 138854 Specdb::NmrOneD 138855 Specdb::NmrOneD 138856 Specdb::NmrOneD 138857 Specdb::NmrOneD 138858 Specdb::NmrOneD 138859 Specdb::NmrOneD 138860 Specdb::NmrOneD 138861 Specdb::NmrOneD 138862 Specdb::NmrOneD 138863 Specdb::NmrOneD 138864 Specdb::NmrOneD 138865 Specdb::NmrOneD 138866 Specdb::NmrOneD 138867 Specdb::NmrOneD 138868 Specdb::NmrOneD 138869 Specdb::CMs 788005 Specdb::CMs 788006 Specdb::CMs 788007 Specdb::CMs 788008 Specdb::CMs 788009 Specdb::CMs 788010 Specdb::CMs 788011 Specdb::CMs 788012 Specdb::CMs 788013 Specdb::CMs 788014 Specdb::CMs 788015 Specdb::CMs 788016 HMDB37091 #<Reference:0x000055ce316513a0> Pulses Unknown generic