1.0 2010-04-08 22:13:59 UTC 2025-11-19 02:15:20 UTC FDB018864 4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside] Isolated from commercial rhubarb. 4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside] is found in green vegetables. 4-(4-Hydroxyphenyl)-2-butanone O-[2,6-bis(3,4,5-trihydroxybenzoyl)-b-D-glucopyranoside] 4-(4-Hydroxyphenyl)-2-butanone O-[2,6-bis(3,4,5-trihydroxybenzoyl)-b-D-glucoside] 4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside] Rheosmine O-[2,6-digalloylglucoside] C30H30O15 630.5502 630.15847029 {3,4-dihydroxy-6-[4-(3-oxobutyl)phenoxy]-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl}methyl 3,4,5-trihydroxybenzoate {3,4-dihydroxy-6-[4-(3-oxobutyl)phenoxy]-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl}methyl 3,4,5-trihydroxybenzoate 105274-14-4 CC(=O)CCC1=CC=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1 InChI=1S/C30H30O15/c1-13(31)2-3-14-4-6-17(7-5-14)43-30-27(45-29(41)16-10-20(34)24(37)21(35)11-16)26(39)25(38)22(44-30)12-42-28(40)15-8-18(32)23(36)19(33)9-15/h4-11,22,25-27,30,32-39H,2-3,12H2,1H3 GLAXWGBAKGLFEU-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 2.54 ALOGPS logs -3.39 ALOGPS solubility 2.56e-01 g/l ALOGPS logp 2.98 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {3,4-dihydroxy-6-[4-(3-oxobutyl)phenoxy]-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl}methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 630.5502 ChemAxon mono_mass 630.15847029 ChemAxon smiles CC(=O)CCC1=CC=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1 ChemAxon formula C30H30O15 ChemAxon inchi InChI=1S/C30H30O15/c1-13(31)2-3-14-4-6-17(7-5-14)43-30-27(45-29(41)16-10-20(34)24(37)21(35)11-16)26(39)25(38)22(44-30)12-42-28(40)15-8-18(32)23(36)19(33)9-15/h4-11,22,25-27,30,32-39H,2-3,12H2,1H3 ChemAxon inchikey GLAXWGBAKGLFEU-UHFFFAOYSA-N ChemAxon polar_surface_area 249.97 ChemAxon refractivity 151.17 ChemAxon polarizability 62.04 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 6953 Specdb::MsMs 6954 Specdb::MsMs 6955 Specdb::MsMs 13625 Specdb::MsMs 13626 Specdb::MsMs 13627 Specdb::MsMs 2382794 Specdb::MsMs 2382795 Specdb::MsMs 2382796 Specdb::MsMs 2580324 Specdb::MsMs 2580325 Specdb::MsMs 2580326 Specdb::CMs 12090 Specdb::CMs 583345 Specdb::CMs 583346 Specdb::CMs 583347 Specdb::CMs 583348 Specdb::CMs 583349 Specdb::CMs 583350 Specdb::CMs 583351 Specdb::CMs 583352 Specdb::CMs 583353 Specdb::CMs 583354 Specdb::CMs 583355 Specdb::CMs 583356 Specdb::CMs 583357 Specdb::CMs 583358 Specdb::CMs 583359 Specdb::CMs 583360 Specdb::CMs 583361 Specdb::CMs 583362 Specdb::CMs 583363 Specdb::CMs 583364 Specdb::CMs 583365 Specdb::CMs 583366 Specdb::CMs 583367 Specdb::CMs 583368 HMDB39314 #<Reference:0x000055ce31e81cf0> Green vegetables Unknown generic