1.0 2010-04-08 22:11:41 UTC 2019-11-26 03:11:14 UTC FDB015163 Uzarigenin 3-[xylosyl-(1->2)-rhamnoside] Constituent of Tamarindus indica (tamarind). Uzarigenin 3-[xylosyl-(1->2)-rhamnoside] is found in fruits. (3b,5a,14b,17b)-3,14-Dihydroxycard-20(22)-enolide 3-O-[b-D-xylopyranosyl-(1->2)-a-L-rhamnopyranoside] Uzarigenin 3-[xylosyl-(1->2)-rhamnoside] Uzarigenin 3-O-[b-D-xylopyranosyl-(1->2)-a-L-rhamnopyranoside] C34H52O12 652.7695 652.345877128 4-[5-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2,5-dihydrofuran-2-one 4-[5-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-5H-furan-2-one 255861-29-1 CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H52O12/c1-16-25(37)27(39)29(46-30-28(40)26(38)23(35)15-43-30)31(44-16)45-19-6-9-32(2)18(13-19)4-5-22-21(32)7-10-33(3)20(8-11-34(22,33)41)17-12-24(36)42-14-17/h12,16,18-23,25-31,35,37-41H,4-11,13-15H2,1-3H3 MNZAIHQSWNCDQA-UHFFFAOYSA-N belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety. Cardenolide glycosides and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Aliphatic heteropolycyclic compounds 14-hydroxysteroids Acetals Butenolides Carbonyl compounds Cyclic alcohols and derivatives Disaccharides Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Steroidal glycosides Tertiary alcohols 14-hydroxysteroid 2-furanone Acetal Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cardanolide-glycoside Cyclic alcohol Dihydrofuran Disaccharide Enoate ester Glycosyl compound Hydrocarbon derivative Hydroxysteroid Lactone Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Steroidal glycoside Tertiary alcohol logp 0.26 ALOGPS logs -3.31 ALOGPS solubility 3.22e-01 g/l ALOGPS logp 1.2 ChemAxon pka_strongest_acidic 7.18 ChemAxon pka_strongest_basic 0.24 ChemAxon iupac 4-[5-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2,5-dihydrofuran-2-one ChemAxon average_mass 652.7695 ChemAxon mono_mass 652.345877128 ChemAxon smiles CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C(OC2OCC(O)C(O)C2O)C(O)C1O ChemAxon formula C34H52O12 ChemAxon inchi InChI=1S/C34H52O12/c1-16-25(37)27(39)29(46-30-28(40)26(38)23(35)15-43-30)31(44-16)45-19-6-9-32(2)18(13-19)4-5-22-21(32)7-10-33(3)20(8-11-34(22,33)41)17-12-24(36)42-14-17/h12,16,18-23,25-31,35,37-41H,4-11,13-15H2,1-3H3 ChemAxon inchikey MNZAIHQSWNCDQA-UHFFFAOYSA-N ChemAxon polar_surface_area 184.6 ChemAxon refractivity 160.96 ChemAxon polarizability 70.23 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 47856 Specdb::MsMs 47857 Specdb::MsMs 47858 Specdb::MsMs 176130 Specdb::MsMs 176131 Specdb::MsMs 176132 Specdb::MsMs 2294712 Specdb::MsMs 2294713 Specdb::MsMs 2294714 Specdb::MsMs 2640220 Specdb::MsMs 2640221 Specdb::MsMs 2640222 Specdb::CMs 646459 Specdb::CMs 646460 Specdb::CMs 646461 Specdb::CMs 646462 Specdb::CMs 646463 Specdb::CMs 646464 Specdb::CMs 646465 Specdb::CMs 646466 Specdb::CMs 646467 Specdb::CMs 646468 Specdb::CMs 646469 Specdb::CMs 646470 Specdb::CMs 646471 Specdb::CMs 646472 Specdb::CMs 646473 Specdb::CMs 646474 Specdb::CMs 646475 Specdb::CMs 646476 Specdb::CMs 646477 Specdb::CMs 646478 Specdb::CMs 646479 Specdb::CMs 646480 Specdb::CMs 646481 Specdb::CMs 646482 Specdb::CMs 646483 HMDB36296 #<Reference:0x000055ce321d3d18> Fruits Unknown generic