1.0 2010-04-08 22:12:56 UTC 2025-11-19 01:52:29 UTC FDB017188 Cyanidin 3-(2G-xylosylrutinoside) Isolated from redcurrants, cherries and other plant subspecies Cyanidin 3-(2G-xylosylrutinoside) is found in many foods, some of which are fruits, redcurrant, sour cherry, and blackcurrant. Cyanidin 2G-(xylosylrutinoside) Cyanidin 3-(2G-xylosylrutinoside) Cyanidin 3-O-xylosyl-rutinoside C32H39O19 727.6407 727.208554066 3-[(4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium 3-[(4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium 38226-79-8 CC1OC(OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1 ZSWXIMXLLJRVFT-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'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Anthocyanidins Benzene and substituted derivatives Catechols Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic cations Oxacyclic compounds Oxanes Polyols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Anthocyanidin Anthocyanidin-3-o-glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Secondary alcohol logp 0.10 ALOGPS logs -2.45 ALOGPS solubility 2.74e+00 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 6.39 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-[(4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium ChemAxon average_mass 727.6407 ChemAxon mono_mass 727.208554066 ChemAxon smiles CC1OC(OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C32H39O19 ChemAxon inchi InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1 ChemAxon inchikey ZSWXIMXLLJRVFT-UHFFFAOYSA-O ChemAxon polar_surface_area 311.28 ChemAxon refractivity 173.58 ChemAxon polarizability 69.68 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 19 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 90393 Specdb::MsMs 90394 Specdb::MsMs 90395 Specdb::MsMs 153537 Specdb::MsMs 153538 Specdb::MsMs 153539 Specdb::MsMs 3050507 Specdb::MsMs 3050508 Specdb::MsMs 3050509 Specdb::NmrOneD 24242 Specdb::NmrOneD 24243 Specdb::NmrOneD 24244 Specdb::NmrOneD 24245 Specdb::NmrOneD 24246 Specdb::NmrOneD 24247 Specdb::NmrOneD 24248 Specdb::NmrOneD 24249 Specdb::NmrOneD 24250 Specdb::NmrOneD 24251 Specdb::NmrOneD 24252 Specdb::NmrOneD 24253 Specdb::NmrOneD 24254 Specdb::NmrOneD 24255 Specdb::NmrOneD 24256 Specdb::NmrOneD 24257 Specdb::NmrOneD 24258 Specdb::NmrOneD 24259 Specdb::NmrOneD 24260 Specdb::NmrOneD 24261 Specdb::CMs 764949 Specdb::CMs 764950 Specdb::CMs 764951 Specdb::CMs 764952 Specdb::CMs 764953 Specdb::CMs 764954 Specdb::CMs 764955 Specdb::CMs 764956 Specdb::CMs 764957 Specdb::CMs 764958 Specdb::CMs 764959 Specdb::CMs 764960 Specdb::CMs 764961 Specdb::CMs 764962 Specdb::CMs 764963 Specdb::CMs 764964 Specdb::CMs 764965 Specdb::CMs 764966 Specdb::CMs 764967 Specdb::CMs 764968 Specdb::CMs 764969 Specdb::CMs 764970 Specdb::CMs 764971 Specdb::CMs 764972 Specdb::CMs 764973 HMDB37994 #<Reference:0x000055ce30a87d58> Black chokeberry Type 1 specific Photinia melanocarpa 661339 0.0 0.0 0.0 mg/100 g Black elderberry Type 1 specific Sambucus nigra 4202 0.0 0.0 0.0 mg/100 g Blackcurrant Type 1 specific Ribes nigrum 78511 0.0 0.0 0.0 mg/100 g Fruits Unknown generic Gooseberry Type 1 specific Ribes uva-crispa 135518 0.0 0.0 0.0 mg/100 g Redcurrant Type 1 specific Ribes rubrum 175228 5.610367 11.220734596 0.0 mg/100 g Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 Sour cherry Type 1 specific Prunus cerasus 140311