1.0 2010-04-08 22:15:09 UTC 2025-11-19 02:32:59 UTC FDB020628 Natsudaidain 3-(4-O-3-hydroxy-3-methylglutaroylglucoside) Constituent of Citrus species Natsudaidain 3-(4-O-3-hydroxy-3-methylglutaroylglucoside) is found in citrus. 3',4',5,6,7,8-Hexamethoxyflavonol 3-O-(4-O-3-hydroxy-3-methylglutaroyl-b-D-glucopyranoside) Natsudaidain 3-(4-O-3-hydroxy-3-methylglutaroylglucoside) Natsudaidain 3-O-(4-O-3-hydroxy-3-methylglutaroyl-b-D-glucopyranoside) C33H40O18 724.6599 724.221464476 5-[(6-{[2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid 5-[(6-{[2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid 149402-86-8 COC1=C(OC)C=C(C=C1)C1=C(OC2OC(CO)C(OC(=O)CC(C)(O)CC(O)=O)C(O)C2O)C(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1 InChI=1S/C33H40O18/c1-33(41,11-18(35)36)12-19(37)49-25-17(13-34)48-32(23(40)22(25)39)51-28-21(38)20-26(44-4)29(45-5)31(47-7)30(46-6)27(20)50-24(28)14-8-9-15(42-2)16(10-14)43-3/h8-10,17,22-23,25,32,34,39-41H,11-13H2,1-7H3,(H,35,36) CVXKGASPLHAFDX-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Alkyl aryl ethers Alkyl glycosides Anisoles Dimethoxybenzenes Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteromonocyclic compound Benzenoid Dimethoxybenzene Ether Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Styrene logp 1.27 ALOGPS logs -3.35 ALOGPS solubility 3.27e-01 g/l ALOGPS logp -0.61 ChemAxon pka_strongest_acidic 3.74 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-[(6-{[2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid ChemAxon average_mass 724.6599 ChemAxon mono_mass 724.221464476 ChemAxon smiles COC1=C(OC)C=C(C=C1)C1=C(OC2OC(CO)C(OC(=O)CC(C)(O)CC(O)=O)C(O)C2O)C(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1 ChemAxon formula C33H40O18 ChemAxon inchi InChI=1S/C33H40O18/c1-33(41,11-18(35)36)12-19(37)49-25-17(13-34)48-32(23(40)22(25)39)51-28-21(38)20-26(44-4)29(45-5)31(47-7)30(46-6)27(20)50-24(28)14-8-9-15(42-2)16(10-14)43-3/h8-10,17,22-23,25,32,34,39-41H,11-13H2,1-7H3,(H,35,36) ChemAxon inchikey CVXKGASPLHAFDX-UHFFFAOYSA-N ChemAxon polar_surface_area 244.66 ChemAxon refractivity 170.78 ChemAxon polarizability 70.52 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 17 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 43482 Specdb::NmrOneD 43483 Specdb::NmrOneD 43484 Specdb::NmrOneD 43485 Specdb::NmrOneD 43486 Specdb::NmrOneD 43487 Specdb::NmrOneD 43488 Specdb::NmrOneD 43489 Specdb::NmrOneD 43490 Specdb::NmrOneD 43491 Specdb::NmrOneD 43492 Specdb::NmrOneD 43493 Specdb::NmrOneD 43494 Specdb::NmrOneD 43495 Specdb::NmrOneD 43496 Specdb::NmrOneD 43497 Specdb::NmrOneD 43498 Specdb::NmrOneD 43499 Specdb::NmrOneD 43500 Specdb::NmrOneD 43501 Specdb::MsMs 290560 Specdb::MsMs 290561 Specdb::MsMs 290562 Specdb::MsMs 330262 Specdb::MsMs 330263 Specdb::MsMs 330264 Specdb::MsMs 2675893 Specdb::MsMs 2675894 Specdb::MsMs 2675895 Specdb::MsMs 3029057 Specdb::MsMs 3029058 Specdb::MsMs 3029059 Specdb::CMs 73046 Specdb::CMs 761976 Specdb::CMs 761977 Specdb::CMs 761978 Specdb::CMs 761979 Specdb::CMs 761980 Specdb::CMs 761981 Specdb::CMs 761982 Specdb::CMs 761983 Specdb::CMs 761984 Specdb::CMs 761985 Specdb::CMs 761986 Specdb::CMs 761987 Specdb::CMs 761988 Specdb::CMs 761989 Specdb::CMs 761990 Specdb::CMs 761991 Specdb::CMs 761992 Specdb::CMs 761993 Specdb::CMs 761994 Specdb::CMs 761995 HMDB40812 #<Reference:0x000055ce307b4d10> Citrus Unknown generic