1.0 2010-04-08 22:14:03 UTC 2019-11-26 03:16:57 UTC FDB018967 Tuberoside K Constituent of seeds of Chinese chives (Allium tuberosum). Tuberoside K is found in onion-family vegetables. Tuberoside K C45H74O18 903.0583 902.487515564 2-{[4-hydroxy-2-(hydroxymethyl)-6-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15'-oloxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 2-{[4-hydroxy-2-(hydroxymethyl)-6-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15'-oloxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 366464-43-9 CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(CO)CO1 InChI=1S/C45H74O18/c1-18-30-28(63-45(18)11-8-21(15-46)17-56-45)13-25-23-7-6-22-12-27(26(48)14-44(22,5)24(23)9-10-43(25,30)4)59-42-39(62-41-36(54)34(52)32(50)20(3)58-41)37(55)38(29(16-47)60-42)61-40-35(53)33(51)31(49)19(2)57-40/h18-42,46-55H,6-17H2,1-5H3 VFFZTNVCORWDDD-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Hydroxysteroids Ketals O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids 2-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketal O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp -0.45 ALOGPS logs -3.08 ALOGPS solubility 7.46e-01 g/l ALOGPS melting_point Mp 292-293° logp -0.36 ChemAxon pka_strongest_acidic 11.88 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2-{[4-hydroxy-2-(hydroxymethyl)-6-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15'-oloxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol ChemAxon average_mass 903.0583 ChemAxon mono_mass 902.487515564 ChemAxon smiles CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(CO)CO1 ChemAxon formula C45H74O18 ChemAxon inchi InChI=1S/C45H74O18/c1-18-30-28(63-45(18)11-8-21(15-46)17-56-45)13-25-23-7-6-22-12-27(26(48)14-44(22,5)24(23)9-10-43(25,30)4)59-42-39(62-41-36(54)34(52)32(50)20(3)58-41)37(55)38(29(16-47)60-42)61-40-35(53)33(51)31(49)19(2)57-40/h18-42,46-55H,6-17H2,1-5H3 ChemAxon inchikey VFFZTNVCORWDDD-UHFFFAOYSA-N ChemAxon polar_surface_area 276.14 ChemAxon refractivity 216.76 ChemAxon polarizability 98.39 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 18 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 66192 Specdb::MsMs 66193 Specdb::MsMs 66194 Specdb::MsMs 123699 Specdb::MsMs 123700 Specdb::MsMs 123701 Specdb::MsMs 2395242 Specdb::MsMs 2395243 Specdb::MsMs 2395244 Specdb::MsMs 2540525 Specdb::MsMs 2540526 Specdb::MsMs 2540527 Specdb::NmrOneD 32702 Specdb::NmrOneD 32703 Specdb::NmrOneD 32704 Specdb::NmrOneD 32705 Specdb::NmrOneD 32706 Specdb::NmrOneD 32707 Specdb::NmrOneD 32708 Specdb::NmrOneD 32709 Specdb::NmrOneD 32710 Specdb::NmrOneD 32711 Specdb::NmrOneD 32712 Specdb::NmrOneD 32713 Specdb::NmrOneD 32714 Specdb::NmrOneD 32715 Specdb::NmrOneD 32716 Specdb::NmrOneD 32717 Specdb::NmrOneD 32718 Specdb::NmrOneD 32719 Specdb::NmrOneD 32720 Specdb::NmrOneD 32721 HMDB39395 #<Reference:0x00007f093c082270> 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