1.0 2010-04-08 22:12:58 UTC 2025-11-19 01:52:50 UTC FDB017242 Malvidin 3-sophoroside 5-glucoside Isolated from grapes. Malvidin 3-sophoroside 5-glucoside is found in fruits. Malvidin 3-sophoroside-5-glucoside Malvidin 5-glucoside 3-sophoroside C35H45O22 817.7186 817.240248124 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium 61811-04-9 COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1 InChI=1S/C35H44O22/c1-49-16-3-11(4-17(50-2)22(16)40)31-18(7-13-14(51-31)5-12(39)6-15(13)52-33-29(47)26(44)23(41)19(8-36)54-33)53-35-32(28(46)25(43)21(10-38)56-35)57-34-30(48)27(45)24(42)20(9-37)55-34/h3-7,19-21,23-30,32-38,41-48H,8-10H2,1-2H3,(H-,39,40)/p+1 MUOOTWYWWLJAQU-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 Dimethoxybenzenes Disaccharides Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Methoxyphenols 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 Dimethoxybenzene Disaccharide Ether Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety 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 -0.61 ALOGPS logs -2.39 ALOGPS solubility 3.51e+00 g/l ALOGPS logp -4.6 ChemAxon pka_strongest_acidic 6.64 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium ChemAxon average_mass 817.7186 ChemAxon mono_mass 817.240248124 ChemAxon smiles COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1 ChemAxon formula C35H45O22 ChemAxon inchi InChI=1S/C35H44O22/c1-49-16-3-11(4-17(50-2)22(16)40)31-18(7-13-14(51-31)5-12(39)6-15(13)52-33-29(47)26(44)23(41)19(8-36)54-33)53-35-32(28(46)25(43)21(10-38)56-35)57-34-30(48)27(45)24(42)20(9-37)55-34/h3-7,19-21,23-30,32-38,41-48H,8-10H2,1-2H3,(H-,39,40)/p+1 ChemAxon inchikey MUOOTWYWWLJAQU-UHFFFAOYSA-O ChemAxon polar_surface_area 349.97 ChemAxon refractivity 191.76 ChemAxon polarizability 78.16 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 21 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 106191 Specdb::MsMs 106192 Specdb::MsMs 106193 Specdb::MsMs 172860 Specdb::MsMs 172861 Specdb::MsMs 172862 Specdb::MsMs 2591830 Specdb::MsMs 2591831 Specdb::MsMs 2591832 Specdb::NmrOneD 24582 Specdb::NmrOneD 24583 Specdb::NmrOneD 24584 Specdb::NmrOneD 24585 Specdb::NmrOneD 24586 Specdb::NmrOneD 24587 Specdb::NmrOneD 24588 Specdb::NmrOneD 24589 Specdb::NmrOneD 24590 Specdb::NmrOneD 24591 Specdb::NmrOneD 24592 Specdb::NmrOneD 24593 Specdb::NmrOneD 24594 Specdb::NmrOneD 24595 Specdb::NmrOneD 24596 Specdb::NmrOneD 24597 Specdb::NmrOneD 24598 Specdb::NmrOneD 24599 Specdb::NmrOneD 24600 Specdb::NmrOneD 24601 Specdb::CMs 790780 Specdb::CMs 790781 Specdb::CMs 790782 Specdb::CMs 790783 Specdb::CMs 790784 Specdb::CMs 790785 Specdb::CMs 790786 Specdb::CMs 790787 Specdb::CMs 790788 Specdb::CMs 790789 Specdb::CMs 790790 Specdb::CMs 790791 Specdb::CMs 790792 HMDB38032 #<Reference:0x000055ce323200e0> Fruits Unknown generic