1.0 2010-04-08 22:14:29 UTC 2025-11-19 02:22:26 UTC FDB019630 Alloside B Alloside b is a member of the class of compounds known as steroidal glycosides. Steroidal glycosides are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Alloside b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Alloside b can be found in garden onion, which makes alloside b a potential biomarker for the consumption of this food product. Alloside B C39H66O14 758.9329 758.44525682 2-{[5-hydroxy-14-(3-hydroxy-6-methylheptan-2-yl)-2,15-dimethyl-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[5-hydroxy-14-(3-hydroxy-6-methylheptan-2-yl)-2,15-dimethyl-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 142735-55-5 CC(C)CCC(O)C(C)C1C(CC2C3CC=C4CC(O)CC(OC5OC(CO)C(O)C(O)C5O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3 JPJDIOVDAAVUNF-UHFFFAOYSA-N belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Steroidal glycosides Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds 3-hydroxy delta-5-steroids Acetals Cholesterols and derivatives Cyclic alcohols and derivatives Delta-5-steroids Dihydroxy bile acids, alcohols and derivatives Diterpene glycosides Diterpenoids Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 22-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Bile acid, alcohol, or derivatives Cholestane-skeleton Cholesterol Cholesterol-skeleton Cyclic alcohol Delta-5-steroid Dihydroxy bile acid, alcohol, or derivatives Diterpene glycoside Diterpenoid Glycosyl compound Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal glycoside Terpene glycoside logp 0.04 ALOGPS logs -3.09 ALOGPS solubility 6.13e-01 g/l ALOGPS melting_point Mp 209-211° logp -0.35 ChemAxon pka_strongest_acidic 11.91 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[5-hydroxy-14-(3-hydroxy-6-methylheptan-2-yl)-2,15-dimethyl-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 758.9329 ChemAxon mono_mass 758.44525682 ChemAxon smiles CC(C)CCC(O)C(C)C1C(CC2C3CC=C4CC(O)CC(OC5OC(CO)C(O)C(O)C5O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C39H66O14 ChemAxon inchi InChI=1S/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3 ChemAxon inchikey JPJDIOVDAAVUNF-UHFFFAOYSA-N ChemAxon polar_surface_area 239.22 ChemAxon refractivity 190.1 ChemAxon polarizability 83.47 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1323595 Specdb::MsMs 1323596 Specdb::MsMs 1323597 Specdb::MsMs 1437958 Specdb::MsMs 1437959 Specdb::MsMs 1437960 Specdb::MsMs 3606470 Specdb::MsMs 3606471 Specdb::MsMs 3606472 Specdb::MsMs 3606473 Specdb::MsMs 3606474 Specdb::MsMs 3606475 Garden onion Type 1 specific Allium cepa 4679