1.0 2010-04-08 22:12:56 UTC 2025-11-19 01:52:27 UTC FDB017181 Cyanidin 4'-glucoside Isolated from okra petals (Hibiscus esculentus). Cyanidin 4'-glucoside is found in garden onion, green vegetables, and okra. Cyanidin 4'-glucoside C21H21O11 449.3848 449.108386514 3,5,7-trihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1λ⁴-chromen-1-ylium 3,5,7-trihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1λ⁴-chromen-1-ylium 27459-77-4 OCC1OC(OC2=C(O)C=C(C=C2)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1 CSNMEDJMOXSNRZ-UHFFFAOYSA-O belongs to the class of organic compounds known as anthocyanins. These are organic compounds containing a flavylium ion or 2-phenylchromenylium based skeleton bound to a sugar. Anthocyanins 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 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Anthocyanidins Anthocyanin-4'-O-glycosides Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Anthocyanidin Anthocyanidin-4p-o-glycoside Anthocyanin Aromatic heteropolycyclic compound Benzenoid Benzopyran Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid 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 0.04 ALOGPS logs -2.89 ALOGPS solubility 6.25e-01 g/l ALOGPS logp 0.39 ChemAxon pka_strongest_acidic 6.01 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,5,7-trihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1λ⁴-chromen-1-ylium ChemAxon average_mass 449.3848 ChemAxon mono_mass 449.108386514 ChemAxon smiles OCC1OC(OC2=C(O)C=C(C=C2)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O ChemAxon formula C21H21O11 ChemAxon inchi InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1 ChemAxon inchikey CSNMEDJMOXSNRZ-UHFFFAOYSA-O ChemAxon polar_surface_area 193.44 ChemAxon refractivity 116.26 ChemAxon polarizability 43.55 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 23321 Specdb::CMs 45630 Specdb::CMs 137985 Specdb::CMs 145719 Specdb::MsMs 68370 Specdb::MsMs 68371 Specdb::MsMs 68372 Specdb::MsMs 126387 Specdb::MsMs 126388 Specdb::MsMs 126389 Specdb::MsMs 2628272 Specdb::MsMs 2628273 Specdb::MsMs 2628274 HMDB37990 #<Reference:0x000055ce31c63b30> Garden onion Type 1 specific Allium cepa 4679 Green vegetables Unknown generic Okra Type 1 specific Abelmoschus esculentus 455045