1.0 2010-04-08 22:12:56 UTC 2025-11-19 01:52:29 UTC FDB017190 Cyanidin 3-laminaribioside Isolated from red onions (Allium cepa). Cyanidin 3-laminaribioside is found in garden onion and onion-family vegetables. Cyanidin 3-laminaribioside Cyanidin 3-O-beta-(3''-O-beta-D-glucosyl-glucoside) C27H31O16 611.5254 611.161209944 3-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium 3-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium 53696-63-2 OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C=C3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C27H30O16/c28-7-17-19(34)21(36)22(37)26(41-17)43-25-20(35)18(8-29)42-27(23(25)38)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22-,23-,25+,26+,27-/m1/s1 YXBNLEZVGITYGW-SQLAXTICSA-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 Disaccharides Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Polyols Primary alcohols 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 Disaccharide Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Secondary alcohol logp 0.06 ALOGPS logs -2.55 ALOGPS solubility 1.84e+00 g/l ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 6.39 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium ChemAxon average_mass 611.5254 ChemAxon mono_mass 611.161209944 ChemAxon smiles OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C=C3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C27H31O16 ChemAxon inchi InChI=1S/C27H30O16/c28-7-17-19(34)21(36)22(37)26(41-17)43-25-20(35)18(8-29)42-27(23(25)38)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22-,23-,25+,26+,27-/m1/s1 ChemAxon inchikey YXBNLEZVGITYGW-SQLAXTICSA-O ChemAxon polar_surface_area 272.59 ChemAxon refractivity 148.67 ChemAxon polarizability 57.92 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 104361 Specdb::MsMs 104362 Specdb::MsMs 104363 Specdb::MsMs 170625 Specdb::MsMs 170626 Specdb::MsMs 170627 Specdb::MsMs 2807501 Specdb::MsMs 2807502 Specdb::MsMs 2807503 Specdb::CMs 19451 Specdb::CMs 45633 Specdb::CMs 518284 Specdb::CMs 518285 Specdb::CMs 518286 Specdb::CMs 518287 Specdb::CMs 518288 Specdb::CMs 518289 Specdb::CMs 518290 Specdb::CMs 518291 Specdb::CMs 518292 Specdb::CMs 518293 Specdb::CMs 518294 Specdb::CMs 518295 Specdb::CMs 518296 Specdb::CMs 518297 Specdb::CMs 518298 Specdb::CMs 518299 Specdb::CMs 518300 Specdb::CMs 518301 Specdb::CMs 518302 Specdb::CMs 518303 Specdb::CMs 518304 Specdb::CMs 518305 Specdb::CMs 518306 Specdb::NmrOneD 24282 Specdb::NmrOneD 24283 Specdb::NmrOneD 24284 Specdb::NmrOneD 24285 Specdb::NmrOneD 24286 Specdb::NmrOneD 24287 Specdb::NmrOneD 24288 Specdb::NmrOneD 24289 Specdb::NmrOneD 24290 Specdb::NmrOneD 24291 Specdb::NmrOneD 24292 Specdb::NmrOneD 24293 Specdb::NmrOneD 24294 Specdb::NmrOneD 24295 Specdb::NmrOneD 24296 Specdb::NmrOneD 24297 Specdb::NmrOneD 24298 Specdb::NmrOneD 24299 Specdb::NmrOneD 24300 Specdb::NmrOneD 24301 HMDB37996 #<Reference:0x000055ce32d66888> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875