1.0 2010-04-08 22:11:07 UTC 2019-11-26 03:09:37 UTC FDB014176 25-Epiruizgenin 3-[4''-rhamnosylglucoside] Constituent of Allium tuberosum (Chinese chives). 25-Epiruizgenin 3-[4''-rhamnosylglucoside] is found in onion-family vegetables. (3b,5b,6a,25S)-Spirostane-3,6-diol 3-O-[a-L-rhamnopyranosyl-(1->4)-b-D-glucopyranoside] 25-Epiruizgenin 3-[4''-rhamnosylglucoside] 25-Epiruizgenin 3-[a-L-rhamnosyl-(1->4)-b-D-glucoside] 25-Epiruizgenin 3-O-[a-L-rhamnopyranosyl-(1->4)-b-D-glucopyranoside] C39H64O13 740.9177 740.434692134 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 265092-99-7 CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1 InChI=1S/C39H64O13/c1-17-6-11-39(47-16-17)18(2)28-26(52-39)14-23-21-13-25(41)24-12-20(7-9-37(24,4)22(21)8-10-38(23,28)5)49-36-33(46)31(44)34(27(15-40)50-36)51-35-32(45)30(43)29(42)19(3)48-35/h17-36,40-46H,6-16H2,1-5H3 XZCHKGLKFIFPOH-UHFFFAOYSA-N belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. Steroidal saponins Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds 6-hydroxysteroids Cyclic alcohols and derivatives Disaccharides Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids 6-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketal O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp 1.20 ALOGPS logs -3.60 ALOGPS solubility 1.88e-01 g/l ALOGPS logp 1.53 ChemAxon pka_strongest_acidic 11.95 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol ChemAxon average_mass 740.9177 ChemAxon mono_mass 740.434692134 ChemAxon smiles CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1 ChemAxon formula C39H64O13 ChemAxon inchi InChI=1S/C39H64O13/c1-17-6-11-39(47-16-17)18(2)28-26(52-39)14-23-21-13-25(41)24-12-20(7-9-37(24,4)22(21)8-10-38(23,28)5)49-36-33(46)31(44)34(27(15-40)50-36)51-35-32(45)30(43)29(42)19(3)48-35/h17-36,40-46H,6-16H2,1-5H3 ChemAxon inchikey XZCHKGLKFIFPOH-UHFFFAOYSA-N ChemAxon polar_surface_area 196.99 ChemAxon refractivity 184.29 ChemAxon polarizability 83.14 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67824 Specdb::MsMs 67825 Specdb::MsMs 67826 Specdb::MsMs 125721 Specdb::MsMs 125722 Specdb::MsMs 125723 Specdb::MsMs 2802826 Specdb::MsMs 2802827 Specdb::MsMs 2802828 Specdb::MsMs 2879054 Specdb::MsMs 2879055 Specdb::MsMs 2879056 Specdb::CMs 771640 Specdb::CMs 771641 Specdb::CMs 771642 Specdb::CMs 771643 Specdb::CMs 771644 Specdb::CMs 771645 Specdb::CMs 771646 Specdb::CMs 771647 Specdb::CMs 771648 Specdb::CMs 771649 Specdb::CMs 771650 Specdb::CMs 771651 Specdb::CMs 771652 Specdb::CMs 771653 Specdb::CMs 771654 Specdb::CMs 771655 Specdb::CMs 771656 Specdb::CMs 771657 Specdb::CMs 771658 Specdb::CMs 771659 Specdb::CMs 771660 Specdb::CMs 771661 Specdb::CMs 771662 Specdb::CMs 771663 Specdb::CMs 771664 HMDB35490 #<Reference:0x000055ce2d827548> 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