1.0 2010-04-08 22:13:48 UTC 2019-11-26 03:16:22 UTC FDB018589 Sudachiin B Isolated from the green peel of Citrus sudachi. Sudachiin B is found in citrus. 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 4'-[6''-(3-hydroxy-3-methylglutaryl)glucoside] Sudachiin B C30H34O17 666.5808 666.179599662 {6-[4-(5,7-dihydroxy-6,8-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-(formyloxy)-3-hydroxy-3-methylbutanoate {6-[4-(5,7-dihydroxy-6,8-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-(formyloxy)-3-hydroxy-3-methylbutanoate 98891-96-4 COC1=C(OC2OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1 InChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(33)44-10-18-21(34)23(36)24(37)29(47-18)46-15-6-5-13(7-17(15)40-2)16-8-14(32)20-22(35)27(41-3)25(38)28(42-4)26(20)45-16/h5-8,12,18,21,23-24,29,34-39H,9-11H2,1-4H3 PXSCZWOHLUQPMV-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 7-hydroxyflavonoids 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 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 3p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 6-methoxyflavonoid-skeleton 7-hydroxyflavonoid 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 o-glycoside Flavonoid-4p-o-glycoside Glycosyl compound Heteroaromatic compound 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 Pyran Pyranone Saccharolipid Secondary alcohol Tertiary alcohol Vinylogous acid logp 1.32 ALOGPS logs -3.36 ALOGPS solubility 2.89e-01 g/l ALOGPS melting_point Mp 190-192° logp -0.13 ChemAxon pka_strongest_acidic 6.63 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac {6-[4-(5,7-dihydroxy-6,8-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-(formyloxy)-3-hydroxy-3-methylbutanoate ChemAxon average_mass 666.5808 ChemAxon mono_mass 666.179599662 ChemAxon smiles COC1=C(OC2OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1 ChemAxon formula C30H34O17 ChemAxon inchi InChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(33)44-10-18-21(34)23(36)24(37)29(47-18)46-15-6-5-13(7-17(15)40-2)16-8-14(32)20-22(35)27(41-3)25(38)28(42-4)26(20)45-16/h5-8,12,18,21,23-24,29,34-39H,9-11H2,1-4H3 ChemAxon inchikey PXSCZWOHLUQPMV-UHFFFAOYSA-N ChemAxon polar_surface_area 246.43 ChemAxon refractivity 155.26 ChemAxon polarizability 64.31 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 15 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 30982 Specdb::NmrOneD 30983 Specdb::NmrOneD 30984 Specdb::NmrOneD 30985 Specdb::NmrOneD 30986 Specdb::NmrOneD 30987 Specdb::NmrOneD 30988 Specdb::NmrOneD 30989 Specdb::NmrOneD 30990 Specdb::NmrOneD 30991 Specdb::NmrOneD 30992 Specdb::NmrOneD 30993 Specdb::NmrOneD 30994 Specdb::NmrOneD 30995 Specdb::NmrOneD 30996 Specdb::NmrOneD 30997 Specdb::NmrOneD 30998 Specdb::NmrOneD 30999 Specdb::NmrOneD 31000 Specdb::NmrOneD 31001 Specdb::MsMs 79584 Specdb::MsMs 79585 Specdb::MsMs 79586 Specdb::MsMs 140217 Specdb::MsMs 140218 Specdb::MsMs 140219 Specdb::MsMs 2338641 Specdb::MsMs 2338642 Specdb::MsMs 2338643 Specdb::MsMs 2623700 Specdb::MsMs 2623701 Specdb::MsMs 2623702 Specdb::CMs 17435 Specdb::CMs 693110 Specdb::CMs 693111 Specdb::CMs 693112 Specdb::CMs 693113 Specdb::CMs 693114 Specdb::CMs 693115 Specdb::CMs 693116 Specdb::CMs 693117 Specdb::CMs 693118 Specdb::CMs 693119 Specdb::CMs 693120 Specdb::CMs 693121 Specdb::CMs 693122 Specdb::CMs 693123 Specdb::CMs 693124 Specdb::CMs 693125 Specdb::CMs 693126 Specdb::CMs 693127 Specdb::CMs 693128 Specdb::CMs 693129 Specdb::CMs 693130 Specdb::CMs 693131 Specdb::CMs 693132 Specdb::CMs 693133 HMDB39087 #<Reference:0x000055ce315a1630> Citrus Unknown generic