1.0 2010-04-08 22:12:57 UTC 2025-11-19 01:52:36 UTC FDB017206 Delphinidin 3-gentiobioside Isolated from Eugenia jambolana (jambolan). Delphinidin 3-gentiobioside is found in java plum and fruits. Delphinidin 3-gentiobioside C27H31O17 627.5248 627.156124566 5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium 5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium 55169-25-0 OCC1OC(OCC2OC(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1 WIIMVXRNTVGXEQ-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 Disaccharides Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrogallols and derivatives 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 Benzenetriol Benzenoid Benzopyran 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 Pyrogallol derivative Secondary alcohol logp -0.15 ALOGPS logs -2.63 ALOGPS solubility 1.54e+00 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium ChemAxon average_mass 627.5248 ChemAxon mono_mass 627.156124566 ChemAxon smiles OCC1OC(OCC2OC(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C27H31O17 ChemAxon inchi InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1 ChemAxon inchikey WIIMVXRNTVGXEQ-UHFFFAOYSA-O ChemAxon polar_surface_area 292.82 ChemAxon refractivity 150.65 ChemAxon polarizability 59.25 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 12 ChemAxon physiological_charge -1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 11894 Specdb::CMs 45639 Specdb::CMs 572041 Specdb::CMs 572042 Specdb::CMs 572043 Specdb::CMs 572044 Specdb::CMs 572045 Specdb::CMs 572046 Specdb::CMs 572047 Specdb::CMs 572048 Specdb::CMs 572049 Specdb::CMs 572050 Specdb::CMs 572051 Specdb::CMs 572052 Specdb::CMs 572053 Specdb::CMs 572054 Specdb::CMs 572055 Specdb::CMs 572056 Specdb::CMs 572057 Specdb::CMs 572058 Specdb::CMs 572059 Specdb::CMs 572060 Specdb::CMs 572061 Specdb::CMs 572062 Specdb::CMs 572063 Specdb::NmrOneD 24382 Specdb::NmrOneD 24383 Specdb::NmrOneD 24384 Specdb::NmrOneD 24385 Specdb::NmrOneD 24386 Specdb::NmrOneD 24387 Specdb::NmrOneD 24388 Specdb::NmrOneD 24389 Specdb::NmrOneD 24390 Specdb::NmrOneD 24391 Specdb::NmrOneD 24392 Specdb::NmrOneD 24393 Specdb::NmrOneD 24394 Specdb::NmrOneD 24395 Specdb::NmrOneD 24396 Specdb::NmrOneD 24397 Specdb::NmrOneD 24398 Specdb::NmrOneD 24399 Specdb::NmrOneD 24400 Specdb::NmrOneD 24401 Specdb::MsMs 86880 Specdb::MsMs 86881 Specdb::MsMs 86882 Specdb::MsMs 149271 Specdb::MsMs 149272 Specdb::MsMs 149273 Specdb::MsMs 2681910 Specdb::MsMs 2681911 Specdb::MsMs 2681912 HMDB38006 #<Reference:0x000055ce30933f88> Fruits Unknown generic Java plum Type 1 specific Syzygium cumini 260142