1.0 2010-04-08 22:13:48 UTC 2019-11-26 03:16:22 UTC FDB018590 Sudachiin C Isolated from the green peel of Citrus sudachi. Sudachiin C is found in citrus. 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside] Sudachiin C C30H34O17 666.5808 666.179599662 (3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl 4-(formyloxy)-3-hydroxy-3-methylbutanoate (3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl 4-(formyloxy)-3-hydroxy-3-methylbutanoate 101339-35-9 COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(OC3OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C3O)C(OC)=C2O1 InChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(34)44-10-18-21(35)23(37)24(38)29(46-18)47-28-26(41-3)22(36)20-15(33)8-16(45-25(20)27(28)42-4)13-5-6-14(32)17(7-13)40-2/h5-8,12,18,21,23-24,29,32,35-39H,9-11H2,1-4H3 CHERSZWRLITUDE-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-O-methylated flavonoids 8-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Chromones Dicarboxylic acids and derivatives Fatty acid esters Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives Saccharolipids Secondary alcohols Tertiary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-methoxyflavonoid-skeleton 8-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol 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 Saccharolipid Secondary alcohol Tertiary alcohol Vinylogous acid logp 1.24 ALOGPS logs -3.31 ALOGPS solubility 3.23e-01 g/l ALOGPS melting_point Mp 144-146° logp -0.13 ChemAxon pka_strongest_acidic 9.06 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl 4-(formyloxy)-3-hydroxy-3-methylbutanoate ChemAxon average_mass 666.5808 ChemAxon mono_mass 666.179599662 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(OC3OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C3O)C(OC)=C2O1 ChemAxon formula C30H34O17 ChemAxon inchi InChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(34)44-10-18-21(35)23(37)24(38)29(46-18)47-28-26(41-3)22(36)20-15(33)8-16(45-25(20)27(28)42-4)13-5-6-14(32)17(7-13)40-2/h5-8,12,18,21,23-24,29,32,35-39H,9-11H2,1-4H3 ChemAxon inchikey CHERSZWRLITUDE-UHFFFAOYSA-N ChemAxon polar_surface_area 246.43 ChemAxon refractivity 155.26 ChemAxon polarizability 64.1 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 15 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12851 Specdb::CMs 693172 Specdb::CMs 693173 Specdb::CMs 693174 Specdb::CMs 693175 Specdb::CMs 693176 Specdb::CMs 693177 Specdb::CMs 693178 Specdb::CMs 693179 Specdb::CMs 693180 Specdb::CMs 693181 Specdb::CMs 693182 Specdb::CMs 693183 Specdb::CMs 693184 Specdb::CMs 693185 Specdb::CMs 693186 Specdb::CMs 693187 Specdb::CMs 693188 Specdb::CMs 693189 Specdb::CMs 693190 Specdb::CMs 693191 Specdb::CMs 693192 Specdb::CMs 693193 Specdb::CMs 693194 Specdb::CMs 693195 Specdb::NmrOneD 31002 Specdb::NmrOneD 31003 Specdb::NmrOneD 31004 Specdb::NmrOneD 31005 Specdb::NmrOneD 31006 Specdb::NmrOneD 31007 Specdb::NmrOneD 31008 Specdb::NmrOneD 31009 Specdb::NmrOneD 31010 Specdb::NmrOneD 31011 Specdb::NmrOneD 31012 Specdb::NmrOneD 31013 Specdb::NmrOneD 31014 Specdb::NmrOneD 31015 Specdb::NmrOneD 31016 Specdb::NmrOneD 31017 Specdb::NmrOneD 31018 Specdb::NmrOneD 31019 Specdb::NmrOneD 31020 Specdb::NmrOneD 31021 Specdb::MsMs 52395 Specdb::MsMs 52396 Specdb::MsMs 52397 Specdb::MsMs 121743 Specdb::MsMs 121744 Specdb::MsMs 121745 Specdb::MsMs 2431585 Specdb::MsMs 2431586 Specdb::MsMs 2431587 Specdb::MsMs 2508100 Specdb::MsMs 2508101 Specdb::MsMs 2508102 HMDB39088 #<Reference:0x000055ce318f07a0> Citrus Unknown generic