1.0 2010-04-08 22:13:01 UTC 2019-11-26 03:14:38 UTC FDB017311 Peonidin 3-rhamnoside Isolated from legumes. Peonidin 3-rhamnoside is found in pulses. Peonidin 3-rhamnoside C22H23O10 447.412 447.129121956 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium 72551-79-2 COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1 InChI=1S/C22H22O10/c1-9-18(26)19(27)20(28)22(30-9)32-17-8-12-14(25)6-11(23)7-15(12)31-21(17)10-3-4-13(24)16(5-10)29-2/h3-9,18-20,22,26-28H,1-2H3,(H2-,23,24,25)/p+1 CLAWMDIRFKUSBX-UHFFFAOYSA-O belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Anthocyanidin-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'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Anthocyanidins Flavonoid-3-O-glycosides Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Phenoxy compounds Polyols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Anthocyanidin Anthocyanidin-3-o-glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Ether Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide 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 Phenoxy compound Polyol Secondary alcohol logp 1.28 ALOGPS logs -3.21 ALOGPS solubility 2.98e-01 g/l ALOGPS logp 1.5 ChemAxon pka_strongest_acidic 6.4 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium ChemAxon average_mass 447.412 ChemAxon mono_mass 447.129121956 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1 ChemAxon formula C22H23O10 ChemAxon inchi InChI=1S/C22H22O10/c1-9-18(26)19(27)20(28)22(30-9)32-17-8-12-14(25)6-11(23)7-15(12)31-21(17)10-3-4-13(24)16(5-10)29-2/h3-9,18-20,22,26-28H,1-2H3,(H2-,23,24,25)/p+1 ChemAxon inchikey CLAWMDIRFKUSBX-UHFFFAOYSA-O ChemAxon polar_surface_area 162.21 ChemAxon refractivity 119.2 ChemAxon polarizability 43.83 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 13597 Specdb::CMs 45671 Specdb::CMs 131786 Specdb::CMs 139520 Specdb::MsMs 72231 Specdb::MsMs 72232 Specdb::MsMs 72233 Specdb::MsMs 131076 Specdb::MsMs 131077 Specdb::MsMs 131078 Specdb::MsMs 2955657 Specdb::MsMs 2955658 Specdb::MsMs 2955659 HMDB38091 #<Reference:0x000055ce30799178> Pulses Unknown generic