1.0 2010-04-08 22:14:55 UTC 2025-11-19 02:29:15 UTC FDB020272 Natsudaidain 3-glucoside Constituent of Citrus subspecies Natsudaidain 3-glucoside is found in citrus. Natsudaidain 3-glucoside C27H32O14 580.5346 580.179205732 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 98891-93-1 COC1=C(OC)C=C(C=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1 InChI=1S/C27H32O14/c1-33-12-8-7-11(9-13(12)34-2)20-23(41-27-19(32)18(31)16(29)14(10-28)39-27)17(30)15-21(35-3)24(36-4)26(38-6)25(37-5)22(15)40-20/h7-9,14,16,18-19,27-29,31-32H,10H2,1-6H3 MSTIUVOQDAVXIA-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 3'-O-methylated flavonoids 4'-O-methylated flavonoids 5-O-methylated flavonoids 6-O-methylated flavonoids 7-O-methylated flavonoids 8-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Chromones Dimethoxybenzenes Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous esters 1-benzopyran 3p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 5-methoxyflavonoid-skeleton 6-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton 8-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dimethoxybenzene Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Monosaccharide O-dimethoxybenzene O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous ester logp 1.11 ALOGPS logs -2.99 ALOGPS solubility 5.98e-01 g/l ALOGPS logp -0.53 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 580.5346 ChemAxon mono_mass 580.179205732 ChemAxon smiles COC1=C(OC)C=C(C=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1 ChemAxon formula C27H32O14 ChemAxon inchi InChI=1S/C27H32O14/c1-33-12-8-7-11(9-13(12)34-2)20-23(41-27-19(32)18(31)16(29)14(10-28)39-27)17(30)15-21(35-3)24(36-4)26(38-6)25(37-5)22(15)40-20/h7-9,14,16,18-19,27-29,31-32H,10H2,1-6H3 ChemAxon inchikey MSTIUVOQDAVXIA-UHFFFAOYSA-N ChemAxon polar_surface_area 181.06 ChemAxon refractivity 140.13 ChemAxon polarizability 57.48 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 14 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 307891 Specdb::MsMs 307892 Specdb::MsMs 307893 Specdb::MsMs 351940 Specdb::MsMs 351941 Specdb::MsMs 351942 Specdb::MsMs 2266770 Specdb::MsMs 2266771 Specdb::MsMs 2266772 Specdb::MsMs 3076050 Specdb::MsMs 3076051 Specdb::MsMs 3076052 Specdb::NmrOneD 40962 Specdb::NmrOneD 40963 Specdb::NmrOneD 40964 Specdb::NmrOneD 40965 Specdb::NmrOneD 40966 Specdb::NmrOneD 40967 Specdb::NmrOneD 40968 Specdb::NmrOneD 40969 Specdb::NmrOneD 40970 Specdb::NmrOneD 40971 Specdb::NmrOneD 40972 Specdb::NmrOneD 40973 Specdb::NmrOneD 40974 Specdb::NmrOneD 40975 Specdb::NmrOneD 40976 Specdb::NmrOneD 40977 Specdb::NmrOneD 40978 Specdb::NmrOneD 40979 Specdb::NmrOneD 40980 Specdb::NmrOneD 40981 Specdb::CMs 18855 Specdb::CMs 46804 Specdb::CMs 282550 Specdb::CMs 396892 Specdb::CMs 396893 Specdb::CMs 396894 Specdb::CMs 396895 Specdb::CMs 396896 Specdb::CMs 396897 Specdb::CMs 396898 Specdb::CMs 396899 Specdb::CMs 396900 Specdb::CMs 396901 Specdb::CMs 396902 Specdb::CMs 396903 Specdb::CMs 396904 Specdb::CMs 396905 Specdb::CMs 396906 Specdb::CMs 396907 Specdb::CMs 396908 Specdb::CMs 396909 Specdb::CMs 396910 Specdb::CMs 396911 Specdb::CMs 396912 Specdb::CMs 396913 HMDB40507 #<Reference:0x000055ce305791b8> Citrus Unknown generic