1.0 2010-04-08 22:13:01 UTC 2019-11-26 03:14:38 UTC FDB017310 Peonidin 3-rhamnoside 5-glucoside Isolated from peas. Peonidin 3-rhamnoside 5-glucoside is found in pulses and common pea. Peonidin 3-rhamnoside-5-glucoside Peonidin 5-glucoside 3-rhamnoside C28H33O15 609.5526 609.181945386 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-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-hydroxy-3-methoxyphenyl)-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 53859-11-3 COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1 InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(39-10)42-18-8-13-15(40-26(18)11-3-4-14(31)17(5-11)38-2)6-12(30)7-16(13)41-28-25(37)23(35)21(33)19(9-29)43-28/h3-8,10,19-25,27-29,32-37H,9H2,1-2H3,(H-,30,31)/p+1 LYMZDGGLEMJUEK-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 3'-O-methylated flavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Anthocyanidin-3-O-glycosides Anthocyanidins Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monosaccharides O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Anthocyanidin Anthocyanidin-3-o-glycoside Anthocyanidin-5-o-glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Ether Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp 0.49 ALOGPS logs -2.93 ALOGPS solubility 7.58e-01 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 6.66 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-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 609.5526 ChemAxon mono_mass 609.181945386 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1 ChemAxon formula C28H33O15 ChemAxon inchi InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(39-10)42-18-8-13-15(40-26(18)11-3-4-14(31)17(5-11)38-2)6-12(30)7-16(13)41-28-25(37)23(35)21(33)19(9-29)43-28/h3-8,10,19-25,27-29,32-37H,9H2,1-2H3,(H-,30,31)/p+1 ChemAxon inchikey LYMZDGGLEMJUEK-UHFFFAOYSA-O ChemAxon polar_surface_area 241.36 ChemAxon refractivity 151.34 ChemAxon polarizability 58.73 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 48063 Specdb::MsMs 48064 Specdb::MsMs 48065 Specdb::MsMs 130815 Specdb::MsMs 130816 Specdb::MsMs 130817 Specdb::MsMs 2489088 Specdb::MsMs 2489089 Specdb::MsMs 2489090 Specdb::NmrOneD 24882 Specdb::NmrOneD 24883 Specdb::NmrOneD 24884 Specdb::NmrOneD 24885 Specdb::NmrOneD 24886 Specdb::NmrOneD 24887 Specdb::NmrOneD 24888 Specdb::NmrOneD 24889 Specdb::NmrOneD 24890 Specdb::NmrOneD 24891 Specdb::NmrOneD 24892 Specdb::NmrOneD 24893 Specdb::NmrOneD 24894 Specdb::NmrOneD 24895 Specdb::NmrOneD 24896 Specdb::NmrOneD 24897 Specdb::NmrOneD 24898 Specdb::NmrOneD 24899 Specdb::NmrOneD 24900 Specdb::NmrOneD 24901 Specdb::CMs 13387 Specdb::CMs 45670 Specdb::CMs 496425 Specdb::CMs 496426 Specdb::CMs 496427 Specdb::CMs 496428 Specdb::CMs 496429 Specdb::CMs 496430 Specdb::CMs 496431 Specdb::CMs 496432 Specdb::CMs 496433 Specdb::CMs 496434 Specdb::CMs 496435 Specdb::CMs 496436 Specdb::CMs 496437 Specdb::CMs 496438 Specdb::CMs 496439 Specdb::CMs 496440 Specdb::CMs 496441 Specdb::CMs 496442 Specdb::CMs 496443 Specdb::CMs 496444 Specdb::CMs 496445 Specdb::CMs 496446 Specdb::CMs 496447 HMDB38090 #<Reference:0x00007f093c090320> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic