1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:02 UTC FDB010729 Leucodelphinidin 3-[galactosyl-(1->4)-glucoside] *Constituent of Moringa oleifera (horseradish tree). Leucodelphinidin 3-[galactosyl-(1->4)-glucoside] is found in fats and oils, herbs and spices, and green vegetables. Leucodelphinidin 3-[galactosyl-(1->4)-glucoside] Leucodelphinidin 3-O-[b-D-galactopyranosyl-(1->4)-b-D-glucopyranoside] C27H34O18 646.5481 646.174514284 4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 189890-19-5 OCC1OC(OC2C(O)C(O)C(OC3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)OC2CO)C(O)C(O)C1O InChI=1S/C27H34O18/c28-5-13-17(35)18(36)20(38)26(42-13)44-24-14(6-29)43-27(21(39)19(24)37)45-25-15-9(31)3-8(30)4-12(15)41-23(22(25)40)7-1-10(32)16(34)11(33)2-7/h1-4,13-14,17-40H,5-6H2 QDZRWBGIKIHOHH-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid 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 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Benzene and substituted derivatives Disaccharides Epigallocatechins Hydrocarbon derivatives Leucoanthocyanidins O-glycosyl compounds 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 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Catechin Chromane Disaccharide Epigallocatechin Ether Flavan Flavonoid o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxyflavonoid Leucoanthocyanidin-skeleton Monocyclic benzene moiety O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Pyrogallol derivative Secondary alcohol logp -1.08 ALOGPS logs -1.54 ALOGPS solubility 1.86e+01 g/l ALOGPS melting_point Mp 158° logp -3 ChemAxon pka_strongest_acidic 8.56 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol ChemAxon average_mass 646.5481 ChemAxon mono_mass 646.174514284 ChemAxon smiles OCC1OC(OC2C(O)C(O)C(OC3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)OC2CO)C(O)C(O)C1O ChemAxon formula C27H34O18 ChemAxon inchi InChI=1S/C27H34O18/c28-5-13-17(35)18(36)20(38)26(42-13)44-24-14(6-29)43-27(21(39)19(24)37)45-25-15-9(31)3-8(30)4-12(15)41-23(22(25)40)7-1-10(32)16(34)11(33)2-7/h1-4,13-14,17-40H,5-6H2 ChemAxon inchikey QDZRWBGIKIHOHH-UHFFFAOYSA-N ChemAxon polar_surface_area 309.14 ChemAxon refractivity 142.01 ChemAxon polarizability 60.61 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 18 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 50100 Specdb::MsMs 50101 Specdb::MsMs 50102 Specdb::MsMs 125037 Specdb::MsMs 125038 Specdb::MsMs 125039 Specdb::MsMs 2409379 Specdb::MsMs 2409380 Specdb::MsMs 2409381 Specdb::MsMs 2553472 Specdb::MsMs 2553473 Specdb::MsMs 2553474 Specdb::NmrOneD 114978 Specdb::NmrOneD 114979 Specdb::NmrOneD 114980 Specdb::NmrOneD 114981 Specdb::NmrOneD 114982 Specdb::NmrOneD 114983 Specdb::NmrOneD 114984 Specdb::NmrOneD 114985 Specdb::NmrOneD 114986 Specdb::NmrOneD 114987 Specdb::NmrOneD 114988 Specdb::NmrOneD 114989 Specdb::NmrOneD 114990 Specdb::NmrOneD 114991 Specdb::NmrOneD 114992 Specdb::NmrOneD 114993 Specdb::NmrOneD 114994 Specdb::NmrOneD 114995 Specdb::NmrOneD 114996 Specdb::NmrOneD 114997 Specdb::CMs 11434 Specdb::CMs 635827 Specdb::CMs 635828 Specdb::CMs 635829 Specdb::CMs 635830 Specdb::CMs 635831 Specdb::CMs 635832 Specdb::CMs 635833 Specdb::CMs 635834 Specdb::CMs 635835 Specdb::CMs 635836 Specdb::CMs 635837 Specdb::CMs 635838 Specdb::CMs 635839 Specdb::CMs 635840 Specdb::CMs 635841 Specdb::CMs 635842 Specdb::CMs 635843 Specdb::CMs 635844 Specdb::CMs 635845 Specdb::CMs 635846 Specdb::CMs 635847 Specdb::CMs 635848 Specdb::CMs 635849 Specdb::CMs 635850 HMDB32762 #<Reference:0x00007f093c0b14d0> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic