1.0 2010-04-08 22:13:00 UTC 2025-11-19 01:53:15 UTC FDB017300 Pelargonidin 3-rhamnoside 5-glucoside Isolated from Pisum subspecies Pelargonidin 3-rhamnoside 5-glucoside is found in pulses and common pea. Pelargonidin 3-rhamnoside-5-glucoside Pelargonidin 5-glucoside 3-rhamnoside C27H31O14 579.5266 579.1713807 7-hydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium 7-hydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium 53925-32-9 CC1OC(OC2=CC3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O)[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(37-10)40-17-8-14-15(38-25(17)11-2-4-12(29)5-3-11)6-13(30)7-16(14)39-27-24(36)22(34)20(32)18(9-28)41-27/h2-8,10,18-24,26-28,31-36H,9H2,1H3,(H-,29,30)/p+1 MIRNSFCHJINZJP-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 4'-hydroxyflavonoids 7-hydroxyflavonoids Acetals Anthocyanidin-3-O-glycosides Anthocyanidins Benzene and substituted derivatives Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Anthocyanidin Anthocyanidin-3-o-glycoside Anthocyanidin-5-o-glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol logp 0.58 ALOGPS logs -2.87 ALOGPS solubility 8.34e-01 g/l ALOGPS logp -0.91 ChemAxon pka_strongest_acidic 6.66 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 7-hydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium ChemAxon average_mass 579.5266 ChemAxon mono_mass 579.1713807 ChemAxon smiles CC1OC(OC2=CC3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O)[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H31O14 ChemAxon inchi InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(37-10)40-17-8-14-15(38-25(17)11-2-4-12(29)5-3-11)6-13(30)7-16(14)39-27-24(36)22(34)20(32)18(9-28)41-27/h2-8,10,18-24,26-28,31-36H,9H2,1H3,(H-,29,30)/p+1 ChemAxon inchikey MIRNSFCHJINZJP-UHFFFAOYSA-O ChemAxon polar_surface_area 232.13 ChemAxon refractivity 144.88 ChemAxon polarizability 55.99 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::NmrOneD 24862 Specdb::NmrOneD 24863 Specdb::NmrOneD 24864 Specdb::NmrOneD 24865 Specdb::NmrOneD 24866 Specdb::NmrOneD 24867 Specdb::NmrOneD 24868 Specdb::NmrOneD 24869 Specdb::NmrOneD 24870 Specdb::NmrOneD 24871 Specdb::NmrOneD 24872 Specdb::NmrOneD 24873 Specdb::NmrOneD 24874 Specdb::NmrOneD 24875 Specdb::NmrOneD 24876 Specdb::NmrOneD 24877 Specdb::NmrOneD 24878 Specdb::NmrOneD 24879 Specdb::NmrOneD 24880 Specdb::NmrOneD 24881 Specdb::MsMs 46092 Specdb::MsMs 46093 Specdb::MsMs 46094 Specdb::MsMs 138543 Specdb::MsMs 138544 Specdb::MsMs 138545 Specdb::MsMs 2391280 Specdb::MsMs 2391281 Specdb::MsMs 2391282 Specdb::CMs 16826 Specdb::CMs 45666 Specdb::CMs 282525 Specdb::CMs 391117 Specdb::CMs 391118 Specdb::CMs 391119 Specdb::CMs 391120 Specdb::CMs 391121 Specdb::CMs 391122 Specdb::CMs 391123 Specdb::CMs 391124 Specdb::CMs 391125 Specdb::CMs 391126 Specdb::CMs 391127 Specdb::CMs 391128 Specdb::CMs 391129 Specdb::CMs 391130 Specdb::CMs 391131 Specdb::CMs 391132 Specdb::CMs 391133 Specdb::CMs 391134 Specdb::CMs 391135 Specdb::CMs 391136 Specdb::CMs 391137 Specdb::CMs 391138 HMDB38086 #<Reference:0x000055ce32b3f398> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic