1.0 2010-04-08 22:05:27 UTC 2020-02-24 19:10:34 UTC FDB002614 Delphinidin 3,5-diglucoside Isolated from pomegranate. Delphinidin 3,5-diglucoside is found in many foods, some of which are alfalfa, common bean, yellow wax bean, and mung bean. Aurobanin A C.I. Natural blue Delphin Delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside Delphinidin 3,5-diglucoside Delphinidin 3,5-O-diglucoside Delphoside? Hyacin C27H31O17 627.5248 627.156124566 7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium 7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium 17670-06-3 OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1 XCTGXGVGJYACEI-LCENJUANSA-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 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Acetals Anthocyanidin-3-O-glycosides Anthocyanidins Benzene and substituted derivatives Flavonoid-3-O-glycosides Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyrogallols and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Anthocyanidin Anthocyanidin-3-o-glycoside Anthocyanidin-5-o-glycoside Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyrogallol derivative Secondary alcohol Anthocyanidins Anthocyanidins and anthocyanins anthocyanin cation beta-D-glucoside logp -0.28 ALOGPS logs -2.61 ALOGPS solubility 1.61e+00 g/l ALOGPS melting_point Mp 202-203 dec. (chloride) logp -2.6 ChemAxon pka_strongest_acidic 6.61 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 7-hydroxy-3,5-bis({[(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 627.5248 ChemAxon mono_mass 627.156124566 ChemAxon smiles OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C27H31O17 ChemAxon inchi InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1 ChemAxon inchikey XCTGXGVGJYACEI-LCENJUANSA-O ChemAxon polar_surface_area 292.82 ChemAxon refractivity 150.38 ChemAxon polarizability 59.37 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 17 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 72024 Specdb::MsMs 72025 Specdb::MsMs 72026 Specdb::MsMs 130821 Specdb::MsMs 130822 Specdb::MsMs 130823 Specdb::MsMs 2391889 Specdb::MsMs 2391890 Specdb::MsMs 2391891 Specdb::NmrOneD 17722 Specdb::NmrOneD 17723 Specdb::NmrOneD 17724 Specdb::NmrOneD 17725 Specdb::NmrOneD 17726 Specdb::NmrOneD 17727 Specdb::NmrOneD 17728 Specdb::NmrOneD 17729 Specdb::NmrOneD 17730 Specdb::NmrOneD 17731 Specdb::NmrOneD 17732 Specdb::NmrOneD 17733 Specdb::NmrOneD 17734 Specdb::NmrOneD 17735 Specdb::NmrOneD 17736 Specdb::NmrOneD 17737 Specdb::NmrOneD 17738 Specdb::NmrOneD 17739 Specdb::NmrOneD 17740 Specdb::NmrOneD 17741 Specdb::CMs 17402 Specdb::CMs 42093 Specdb::CMs 571733 Specdb::CMs 571734 Specdb::CMs 571735 Specdb::CMs 571736 Specdb::CMs 571737 Specdb::CMs 571738 Specdb::CMs 571739 Specdb::CMs 571740 Specdb::CMs 571741 Specdb::CMs 571742 Specdb::CMs 571743 Specdb::CMs 571744 Specdb::CMs 571745 Specdb::CMs 571746 Specdb::CMs 571747 Specdb::CMs 571748 Specdb::CMs 571749 Specdb::CMs 571750 Specdb::CMs 571751 Specdb::CMs 571752 Specdb::CMs 571753 Specdb::CMs 571754 Specdb::CMs 571755 HMDB30693 55455 #<Reference:0x000055ce33311468> Alfalfa Type 1 specific Medicago sativa 3879 Chicory Type 1 specific Cichorium intybus 13427 Common bean Type 1 specific Phaseolus vulgaris 3885 0.0 0.0 0.0 mg/100 g Common grape Type 1 specific Vitis vinifera 29760 Common pea Type 1 specific Pisum sativum 3888 Fruits Unknown generic Green bean Type 1 specific Phaseolus vulgaris 3885 0.0 0.0 0.0 mg/100 g Mung bean Type 1 specific Vigna radiata 157791 Pomegranate Type 1 specific Punica granatum 22663 1.836219 2.109999895 1.562437518 mg/100 g Yellow wax bean Type 1 specific Phaseolus vulgaris 3885 0.0 0.0 0.0 mg/100 g