1.0 2010-04-08 22:13:21 UTC 2025-11-19 02:05:14 UTC FDB017859 Delphinidin glycoside Isolated from fruits of Hibiscus sabdariffa (roselle). Delphinidin glycoside is found in herbs and spices. Hibiscin C15H11O7 303.2436 303.050477706 5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium 5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium 53158-73-9 OC1=CC2=[O+]C(=C(O)C=C2C(O)=C1)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1 JKHRCGUTYDNCLE-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 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 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 Primary alcohol Secondary alcohol logp 0.93 ALOGPS logs -2.77 ALOGPS solubility 8.54e-01 g/l ALOGPS melting_point Mp 178° (chloride) logp 0.1 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium ChemAxon average_mass 303.2436 ChemAxon mono_mass 303.050477706 ChemAxon smiles OC1=CC2=[O+]C(=C(O)C=C2C(O)=C1)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C15H11O7 ChemAxon inchi InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1 ChemAxon inchikey JKHRCGUTYDNCLE-UHFFFAOYSA-O ChemAxon polar_surface_area 213.67 ChemAxon refractivity 118.24 ChemAxon polarizability 43.8 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 180033 Specdb::MsMs 180034 Specdb::MsMs 180035 Specdb::MsMs 182367 Specdb::MsMs 182368 Specdb::MsMs 182369 Specdb::MsMs 439274 Specdb::MsMs 448211 Specdb::MsMs 2227931 Specdb::MsMs 2314592 Specdb::MsMs 2314593 Specdb::MsMs 2314594 Specdb::CMs 10509 Specdb::CMs 45634 Specdb::CMs 154016 Specdb::CMs 158916 Specdb::CMs 158918 Specdb::CMs 158920 Specdb::CMs 158921 Specdb::CMs 158924 Specdb::CMs 158926 Specdb::CMs 158927 Specdb::CMs 158929 Specdb::CMs 158931 Specdb::CMs 158933 Specdb::CMs 158935 Specdb::CMs 158937 Specdb::CMs 158939 Specdb::CMs 158941 Specdb::CMs 158943 Specdb::CMs 280255 Specdb::NmrOneD 297495 Specdb::NmrOneD 297496 Specdb::NmrOneD 297497 Specdb::NmrOneD 297498 Specdb::NmrOneD 297499 Specdb::NmrOneD 297500 Specdb::NmrOneD 297501 Specdb::NmrOneD 297502 Specdb::NmrOneD 297503 Specdb::NmrOneD 297504 Specdb::NmrOneD 297505 Specdb::NmrOneD 297506 Specdb::NmrOneD 297507 Specdb::NmrOneD 297508 Specdb::NmrOneD 297509 Specdb::NmrOneD 297510 Specdb::NmrOneD 297511 Specdb::NmrOneD 297512 Specdb::NmrOneD 297513 Specdb::NmrOneD 297514 HMDB0037997 Herbs and Spices Unknown generic