1.0 2010-04-08 22:15:29 UTC 2019-11-26 03:19:54 UTC FDB021113 Betavulgarin xyloside Constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Betavulgarin xyloside is found in root vegetables. Betavulgarin xyloside C22H20O10 444.3882 444.10564686 9-methoxy-7-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one 9-methoxy-7-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-2H-[1,3]dioxolo[4,5-g]chromen-8-one 160485-40-5 COC1=C2C(=O)C(=COC2=CC2=C1OCO2)C1=CC=CC=C1OC1OCC(O)C(O)C1O InChI=1S/C22H20O10/c1-27-21-16-14(6-15-20(21)31-9-30-15)28-7-11(17(16)24)10-4-2-3-5-13(10)32-22-19(26)18(25)12(23)8-29-22/h2-7,12,18-19,22-23,25-26H,8-9H2,1H3 BKTIRNZJQRNCKX-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Isoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Benzodioxoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives Secondary alcohols Vinylogous esters 1-benzopyran Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzopyran Chromone Ether Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Isoflavone 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 Secondary alcohol Vinylogous ester logp 0.99 ALOGPS logs -2.89 ALOGPS solubility 5.77e-01 g/l ALOGPS melting_point Mp 144-146° logp 0.86 ChemAxon pka_strongest_acidic 12.23 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 9-methoxy-7-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one ChemAxon average_mass 444.3882 ChemAxon mono_mass 444.10564686 ChemAxon smiles COC1=C2C(=O)C(=COC2=CC2=C1OCO2)C1=CC=CC=C1OC1OCC(O)C(O)C1O ChemAxon formula C22H20O10 ChemAxon inchi InChI=1S/C22H20O10/c1-27-21-16-14(6-15-20(21)31-9-30-15)28-7-11(17(16)24)10-4-2-3-5-13(10)32-22-19(26)18(25)12(23)8-29-22/h2-7,12,18-19,22-23,25-26H,8-9H2,1H3 ChemAxon inchikey BKTIRNZJQRNCKX-UHFFFAOYSA-N ChemAxon polar_surface_area 133.14 ChemAxon refractivity 106.13 ChemAxon polarizability 42.72 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18911 Specdb::CMs 47181 Specdb::CMs 165870 Specdb::MsMs 308008 Specdb::MsMs 308009 Specdb::MsMs 308010 Specdb::MsMs 352087 Specdb::MsMs 352088 Specdb::MsMs 352089 Specdb::MsMs 2826963 Specdb::MsMs 2826964 Specdb::MsMs 2826965 Specdb::MsMs 2851477 Specdb::MsMs 2851478 Specdb::MsMs 2851479 HMDB41214 #<Reference:0x000055ce326c4d18> Root vegetables Unknown generic