1.0 2010-04-08 22:05:10 UTC 2025-11-18 22:33:52 UTC FDB001937 Isonuatigenin 3-[rhamnosyl-(1->2)-glucoside] Isolated from Allium vineale (wild garlic). Isonuatigenin 3-[rhamnosyl-(1->2)-glucoside] is found in onion-family vegetables. (3b,25S)-Spirost-5-ene-3,25-diol 3-[rhamnosyl-(1->2)-glucoside] (3b,25S)-Spirost-5-ene-3,25-diol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] (3b,25S)-Spirost-5-ene-3,25-diol 3-O-[a-L-rhamnosyl-(1->2)-b-D-glucoside] Isonuatigenin 3-[rhamnosyl-(1->2)-glucoside] C39H62O13 738.9018 738.41904207 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-5-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-5-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 328-39-2 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)(O)CO1 InChI=1S/C39H62O13/c1-18-27-25(52-39(18)13-12-36(3,46)17-47-39)15-24-22-7-6-20-14-21(8-10-37(20,4)23(22)9-11-38(24,27)5)49-35-33(31(44)29(42)26(16-40)50-35)51-34-32(45)30(43)28(41)19(2)48-34/h6,18-19,21-35,40-46H,7-17H2,1-5H3 PLYWNQLDOZOLOC-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 Delta-5-steroids Disaccharides Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tertiary alcohols Tetrahydrofurans Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Delta-5-steroid Disaccharide Glycosyl compound Hydrocarbon derivative Ketal O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tertiary alcohol Tetrahydrofuran Triterpenoid logp 1.42 ALOGPS logs -3.65 ALOGPS solubility 1.64e-01 g/l ALOGPS logp 1.27 ChemAxon pka_strongest_acidic 12.1 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-5-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol ChemAxon average_mass 738.9018 ChemAxon mono_mass 738.41904207 ChemAxon smiles CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)(O)CO1 ChemAxon formula C39H62O13 ChemAxon inchi InChI=1S/C39H62O13/c1-18-27-25(52-39(18)13-12-36(3,46)17-47-39)15-24-22-7-6-20-14-21(8-10-37(20,4)23(22)9-11-38(24,27)5)49-35-33(31(44)29(42)26(16-40)50-35)51-34-32(45)30(43)28(41)19(2)48-34/h6,18-19,21-35,40-46H,7-17H2,1-5H3 ChemAxon inchikey PLYWNQLDOZOLOC-UHFFFAOYSA-N ChemAxon polar_surface_area 196.99 ChemAxon refractivity 185.08 ChemAxon polarizability 81.67 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73401 Specdb::MsMs 73402 Specdb::MsMs 73403 Specdb::MsMs 132576 Specdb::MsMs 132577 Specdb::MsMs 132578 Specdb::MsMs 2700874 Specdb::MsMs 2700875 Specdb::MsMs 2700876 Specdb::MsMs 3005331 Specdb::MsMs 3005332 Specdb::MsMs 3005333 Specdb::CMs 768695 Specdb::CMs 768696 Specdb::CMs 768697 Specdb::CMs 768698 Specdb::CMs 768699 Specdb::CMs 768700 Specdb::CMs 768701 Specdb::CMs 768702 Specdb::CMs 768703 Specdb::CMs 768704 Specdb::CMs 768705 Specdb::CMs 768706 Specdb::CMs 768707 Specdb::CMs 768708 Specdb::CMs 768709 Specdb::CMs 768710 Specdb::CMs 768711 Specdb::CMs 768712 Specdb::CMs 768713 Specdb::CMs 768714 Specdb::CMs 768715 Specdb::CMs 768716 Specdb::CMs 768717 Specdb::CMs 768718 Specdb::CMs 768719 HMDB30132 #<Reference:0x000055ce3173d7f0> 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