1.0 2010-04-08 22:12:27 UTC 2025-11-19 01:47:10 UTC FDB016454 Diosmetin 3,8-di-C-glucoside Isolated from peelings of Citrus sinensis (orange). Diosmetin 3,8-di-C-glucoside is found in sweet orange and citrus. 3,8-Di-C-glucopyranosyldiosmetin 3,8-Diglucopyranosyl-3',5,7-trihydroxy-4'-methoxyflavone 3,8-Diglucopyranosyldiosmetin 3,8-Diglucosyldiosmetin Diosmetin 3,8-di-C-glucoside C28H32O16 624.5441 624.169034976 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 97218-32-1 COC1=C(O)C=C(C=C1)C1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(O)C=C2O InChI=1S/C28H32O16/c1-41-12-3-2-8(4-9(12)31)25-17(28-24(40)22(38)19(35)14(7-30)43-28)20(36)15-10(32)5-11(33)16(26(15)44-25)27-23(39)21(37)18(34)13(6-29)42-27/h2-5,13-14,18-19,21-24,27-35,37-40H,6-7H2,1H3 OZSVEJJFZRCNON-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Flavonoid 8-C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles C-glycosyl compounds Chromones Dialkyl ethers Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Chromone Dialkyl ether Ether Flavone Flavonoid-8-c-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.93 ALOGPS logs -1.92 ALOGPS solubility 7.54e+00 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 6.14 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one ChemAxon average_mass 624.5441 ChemAxon mono_mass 624.169034976 ChemAxon smiles COC1=C(O)C=C(C=C1)C1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(O)C=C2O ChemAxon formula C28H32O16 ChemAxon inchi InChI=1S/C28H32O16/c1-41-12-3-2-8(4-9(12)31)25-17(28-24(40)22(38)19(35)14(7-30)43-28)20(36)15-10(32)5-11(33)16(26(15)44-25)27-23(39)21(37)18(34)13(6-29)42-27/h2-5,13-14,18-19,21-24,27-35,37-40H,6-7H2,1H3 ChemAxon inchikey OZSVEJJFZRCNON-UHFFFAOYSA-N ChemAxon polar_surface_area 276.52 ChemAxon refractivity 144.93 ChemAxon polarizability 59.01 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 140570 Specdb::NmrOneD 140571 Specdb::NmrOneD 140572 Specdb::NmrOneD 140573 Specdb::NmrOneD 140574 Specdb::NmrOneD 140575 Specdb::NmrOneD 140576 Specdb::NmrOneD 140577 Specdb::NmrOneD 140578 Specdb::NmrOneD 140579 Specdb::NmrOneD 140580 Specdb::NmrOneD 140581 Specdb::NmrOneD 140582 Specdb::NmrOneD 140583 Specdb::NmrOneD 140584 Specdb::NmrOneD 140585 Specdb::NmrOneD 140586 Specdb::NmrOneD 140587 Specdb::NmrOneD 140588 Specdb::NmrOneD 140589 Specdb::MsMs 90117 Specdb::MsMs 90118 Specdb::MsMs 90119 Specdb::MsMs 153201 Specdb::MsMs 153202 Specdb::MsMs 153203 Specdb::MsMs 3047810 Specdb::MsMs 3047811 Specdb::MsMs 3047812 Specdb::MsMs 3095599 Specdb::MsMs 3095600 Specdb::MsMs 3095601 Specdb::CMs 9399 Specdb::CMs 557174 Specdb::CMs 557175 Specdb::CMs 557176 Specdb::CMs 557177 Specdb::CMs 557178 Specdb::CMs 557179 Specdb::CMs 557180 Specdb::CMs 557181 Specdb::CMs 557182 Specdb::CMs 557183 Specdb::CMs 557184 Specdb::CMs 557185 Specdb::CMs 557186 Specdb::CMs 557187 Specdb::CMs 557188 Specdb::CMs 557189 Specdb::CMs 557190 Specdb::CMs 557191 Specdb::CMs 557192 Specdb::CMs 557193 Specdb::CMs 557194 Specdb::CMs 557195 Specdb::CMs 557196 Specdb::CMs 557197 HMDB37409 #<Reference:0x000055ce2efe4280> Citrus Unknown generic Sweet orange Type 1 specific Citrus sinensis 2711