1.0 2010-04-08 22:12:23 UTC 2025-11-19 01:46:34 UTC FDB016359 7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside Isolated from peel of Citrus sudachi. 7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside is found in citrus. 4',5,7-Trihydroxy-3',6,8-trimethoxyflavone 4'-O-b-D-glucopyranoside 7-O-(4-carboxy-3-hydroxy-3-methylbutanoyl) 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-(3-hydroxy-3-methylglutarate)-4'-glucoside 7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside Sudachitin 4'-O-b-D-glucopyranoside 7-O-(4-carboxy-3-hydroxy-3-methylbutanoyl) C30H34O17 666.5808 666.179599662 3-hydroxy-5-{[5-hydroxy-6,8-dimethoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-methyl-5-oxopentanoic acid 3-hydroxy-5-{[5-hydroxy-6,8-dimethoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxochromen-7-yl]oxy}-3-methyl-5-oxopentanoic acid 101899-84-7 COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(OC(=O)CC(C)(O)CC(O)=O)C(OC)=C2O1 InChI=1S/C30H34O17/c1-30(40,9-18(33)34)10-19(35)47-28-26(42-3)22(37)20-13(32)8-15(44-25(20)27(28)43-4)12-5-6-14(16(7-12)41-2)45-29-24(39)23(38)21(36)17(11-31)46-29/h5-8,17,21,23-24,29,31,36-40H,9-11H2,1-4H3,(H,33,34) FPEYXBLVSDJZDD-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 3'-O-methylated flavonoids 5-hydroxyflavonoids 6-O-methylated flavonoids 8-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Carboxylic acids Chromones Dicarboxylic acids and derivatives Fatty acid esters Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Tertiary alcohols Vinylogous acids 1-benzopyran 3p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 6-methoxyflavonoid-skeleton 8-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Chromone Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Flavone Flavonoid o-glycoside Flavonoid-4p-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Tertiary alcohol Vinylogous acid logp 0.77 ALOGPS logs -3.24 ALOGPS solubility 3.85e-01 g/l ALOGPS melting_point Mp 150-152° logp -0.65 ChemAxon pka_strongest_acidic 2.81 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-hydroxy-5-{[5-hydroxy-6,8-dimethoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-methyl-5-oxopentanoic acid ChemAxon average_mass 666.5808 ChemAxon mono_mass 666.179599662 ChemAxon smiles COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(OC(=O)CC(C)(O)CC(O)=O)C(OC)=C2O1 ChemAxon formula C30H34O17 ChemAxon inchi InChI=1S/C30H34O17/c1-30(40,9-18(33)34)10-19(35)47-28-26(42-3)22(37)20-13(32)8-15(44-25(20)27(28)43-4)12-5-6-14(16(7-12)41-2)45-29-24(39)23(38)21(36)17(11-31)46-29/h5-8,17,21,23-24,29,31,36-40H,9-11H2,1-4H3,(H,33,34) ChemAxon inchikey FPEYXBLVSDJZDD-UHFFFAOYSA-N ChemAxon polar_surface_area 257.43 ChemAxon refractivity 155.09 ChemAxon polarizability 64.9 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 16 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 140110 Specdb::NmrOneD 140111 Specdb::NmrOneD 140112 Specdb::NmrOneD 140113 Specdb::NmrOneD 140114 Specdb::NmrOneD 140115 Specdb::NmrOneD 140116 Specdb::NmrOneD 140117 Specdb::NmrOneD 140118 Specdb::NmrOneD 140119 Specdb::NmrOneD 140120 Specdb::NmrOneD 140121 Specdb::NmrOneD 140122 Specdb::NmrOneD 140123 Specdb::NmrOneD 140124 Specdb::NmrOneD 140125 Specdb::NmrOneD 140126 Specdb::NmrOneD 140127 Specdb::NmrOneD 140128 Specdb::NmrOneD 140129 Specdb::CMs 13304 Specdb::CMs 693019 Specdb::CMs 693020 Specdb::CMs 693021 Specdb::CMs 693022 Specdb::CMs 693023 Specdb::CMs 693024 Specdb::CMs 693025 Specdb::CMs 693026 Specdb::CMs 693027 Specdb::CMs 693028 Specdb::CMs 693029 Specdb::CMs 693030 Specdb::CMs 693031 Specdb::CMs 693032 Specdb::CMs 693033 Specdb::CMs 693034 Specdb::CMs 693035 Specdb::CMs 693036 Specdb::CMs 693037 Specdb::CMs 693038 Specdb::CMs 693039 Specdb::CMs 693040 Specdb::CMs 693041 Specdb::CMs 693042 Specdb::MsMs 80892 Specdb::MsMs 80893 Specdb::MsMs 80894 Specdb::MsMs 141879 Specdb::MsMs 141880 Specdb::MsMs 141881 Specdb::MsMs 2278748 Specdb::MsMs 2278749 Specdb::MsMs 2278750 Specdb::MsMs 3089599 Specdb::MsMs 3089600 Specdb::MsMs 3089601 HMDB37337 #<Reference:0x000055ce3081aae8> Citrus Unknown generic