1.0 2010-04-08 22:13:27 UTC 2025-11-19 02:07:54 UTC FDB018020 Xanthotoxol glucoside Constituent of Aegle marmelos (bael fruit). Xanthotoxol glucoside is found in fruits. Xanthotoxol glucoside Xanthotoxol O-b-D-glucopyranoside C17H16O9 364.3035 364.07943211 9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7H-furo[3,2-g]chromen-7-one 9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one 2009-24-7 OCC1OC(OC2=C3OC(=O)C=CC3=CC3=C2OC=C3)C(O)C(O)C1O InChI=1S/C17H16O9/c18-6-9-11(20)12(21)13(22)17(24-9)26-16-14-8(3-4-23-14)5-7-1-2-10(19)25-15(7)16/h1-5,9,11-13,17-18,20-22H,6H2 CXQMYXUCGMYFCD-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Coumarin glycosides Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Coumarin glycosides Aromatic heteropolycyclic compounds 1-benzopyrans Acetals Benzenoids Benzofurans Furans Heteroaromatic compounds Hexoses Hydrocarbon derivatives Lactones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Psoralens Pyranones and derivatives Secondary alcohols 1-benzopyran Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Coumarin o-glycoside Coumarin-8-o-glycoside Furan Furanocoumarin Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Lactone Linear furanocoumarin Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Psoralen Pyran Pyranone Secondary alcohol logp -0.05 ALOGPS logs -1.85 ALOGPS solubility 5.12e+00 g/l ALOGPS melting_point Mp 219-220° logp -0.63 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 364.3035 ChemAxon mono_mass 364.07943211 ChemAxon smiles OCC1OC(OC2=C3OC(=O)C=CC3=CC3=C2OC=C3)C(O)C(O)C1O ChemAxon formula C17H16O9 ChemAxon inchi InChI=1S/C17H16O9/c18-6-9-11(20)12(21)13(22)17(24-9)26-16-14-8(3-4-23-14)5-7-1-2-10(19)25-15(7)16/h1-5,9,11-13,17-18,20-22H,6H2 ChemAxon inchikey CXQMYXUCGMYFCD-UHFFFAOYSA-N ChemAxon polar_surface_area 138.82 ChemAxon refractivity 84.52 ChemAxon polarizability 34.19 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14234 Specdb::CMs 45946 Specdb::CMs 160341 Specdb::MsMs 101790 Specdb::MsMs 101791 Specdb::MsMs 101792 Specdb::MsMs 167475 Specdb::MsMs 167476 Specdb::MsMs 167477 Specdb::MsMs 2349946 Specdb::MsMs 2349947 Specdb::MsMs 2349948 Specdb::MsMs 2589607 Specdb::MsMs 2589608 Specdb::MsMs 2589609 Specdb::NmrOneD 27702 Specdb::NmrOneD 27703 Specdb::NmrOneD 27704 Specdb::NmrOneD 27705 Specdb::NmrOneD 27706 Specdb::NmrOneD 27707 Specdb::NmrOneD 27708 Specdb::NmrOneD 27709 Specdb::NmrOneD 27710 Specdb::NmrOneD 27711 Specdb::NmrOneD 27712 Specdb::NmrOneD 27713 Specdb::NmrOneD 27714 Specdb::NmrOneD 27715 Specdb::NmrOneD 27716 Specdb::NmrOneD 27717 Specdb::NmrOneD 27718 Specdb::NmrOneD 27719 Specdb::NmrOneD 27720 Specdb::NmrOneD 27721 HMDB38626 #<Reference:0x000055ce32f5b8f0> Fruits Unknown generic