1.0 2010-04-08 22:13:14 UTC 2019-11-26 03:15:02 UTC FDB017680 Alliosterol 1-rhamnoside 16-galactoside Constituent of Allium porrum (leek). Alliosterol 1-rhamnoside 16-galactoside is found in onion-family vegetables. (1b,3b,16b,22S)-Cholest-5-ene-1,3,16,22-tetrol 1-O-a-L-rhamnopyranoside 16-O-b-D-galactopyranoside (1b,3b,16b,22S)-Cholest-5-ene-1,3,16,22-tetrol 1-O-a-L-rhamnoside 16-O-b-D-galactoside (1b,3b,16b,22S)-Cholest-5-ene-1,3,16,22-tetrol 1-rhamnoside 16-galactoside Alliosterol 1-O-a-L-rhamnopyranoside 16-O-b-D-galactopyranoside Alliosterol 1-O-a-L-rhamnoside 16-O-b-D-galactoside Alliosterol 1-rhamnoside 16-galactoside C39H66O13 742.9335 742.450342198 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-methyloxane-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-methyloxane-3,4,5-triol 289690-78-4 CC(C)CCC(O)C(C)C1C(CC2C3CC=C4CC(O)CC(OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C39H66O13/c1-17(2)7-10-25(42)18(3)29-26(50-37-35(48)33(46)31(44)27(16-40)51-37)15-24-22-9-8-20-13-21(41)14-28(39(20,6)23(22)11-12-38(24,29)5)52-36-34(47)32(45)30(43)19(4)49-36/h8,17-19,21-37,40-48H,7,9-16H2,1-6H3 UFOUZKFFEDCDRA-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 0.54 ALOGPS logs -3.34 ALOGPS solubility 3.38e-01 g/l ALOGPS logp 0.7 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -2.8 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-methyloxane-3,4,5-triol ChemAxon average_mass 742.9335 ChemAxon mono_mass 742.450342198 ChemAxon smiles CC(C)CCC(O)C(C)C1C(CC2C3CC=C4CC(O)CC(OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C39H66O13 ChemAxon inchi InChI=1S/C39H66O13/c1-17(2)7-10-25(42)18(3)29-26(50-37-35(48)33(46)31(44)27(16-40)51-37)15-24-22-9-8-20-13-21(41)14-28(39(20,6)23(22)11-12-38(24,29)5)52-36-34(47)32(45)30(43)19(4)49-36/h8,17-19,21-37,40-48H,7,9-16H2,1-6H3 ChemAxon inchikey UFOUZKFFEDCDRA-UHFFFAOYSA-N ChemAxon polar_surface_area 218.99 ChemAxon refractivity 188.56 ChemAxon polarizability 82.63 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 772600 Specdb::CMs 772601 Specdb::CMs 772602 Specdb::CMs 772603 Specdb::CMs 772604 Specdb::CMs 772605 Specdb::CMs 772606 Specdb::CMs 772607 Specdb::CMs 772608 Specdb::CMs 772609 Specdb::CMs 772610 Specdb::CMs 772611 Specdb::CMs 772612 Specdb::CMs 772613 Specdb::CMs 772614 Specdb::CMs 772615 Specdb::CMs 772616 Specdb::CMs 772617 Specdb::CMs 772618 Specdb::CMs 772619 Specdb::CMs 772620 Specdb::CMs 772621 Specdb::CMs 772622 Specdb::CMs 772623 Specdb::CMs 772624 Specdb::MsMs 6557 Specdb::MsMs 6558 Specdb::MsMs 6559 Specdb::MsMs 13229 Specdb::MsMs 13230 Specdb::MsMs 13231 Specdb::MsMs 2377804 Specdb::MsMs 2377805 Specdb::MsMs 2377806 Specdb::MsMs 2561712 Specdb::MsMs 2561713 Specdb::MsMs 2561714 HMDB38345 #<Reference:0x000055ce3354cbd8> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875