1.0 2010-04-08 22:09:14 UTC 2019-11-26 03:03:57 UTC FDB010649 Chinenoside VI Constituent of Allium chinense (rakkyo). Chinenoside VI is found in onion-family vegetables. Chinenoside VI C44H70O19 903.0152 902.451130058 5,7',9',13'-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16'-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-one 5,7',9',13'-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16'-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-one 200483-13-2 CC1C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)OC11CC(OC2OC(CO)C(O)C(O)C2O)C(C)CO1 InChI=1S/C44H70O19/c1-17-14-58-44(12-27(17)60-41-38(55)34(51)32(49)28(13-45)61-41)18(2)30-26(63-44)11-22-20-10-24(46)23-9-19(5-7-42(23,3)21(20)6-8-43(22,30)4)59-40-37(54)35(52)33(50)29(62-40)16-57-39-36(53)31(48)25(47)15-56-39/h17-23,25-41,45,47-55H,5-16H2,1-4H3 IYLGRZBRMFMEOH-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-oxosteroids Disaccharides Hydrocarbon derivatives Ketals Ketones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids 6-oxosteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Disaccharide Glycosyl compound Hydrocarbon derivative Ketal Ketone O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp -1.23 ALOGPS logs -3.06 ALOGPS solubility 7.79e-01 g/l ALOGPS melting_point Mp 219-221° logp -1.3 ChemAxon pka_strongest_acidic 11.76 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7',9',13'-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16'-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-one ChemAxon average_mass 903.0152 ChemAxon mono_mass 902.451130058 ChemAxon smiles CC1C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)OC11CC(OC2OC(CO)C(O)C(O)C2O)C(C)CO1 ChemAxon formula C44H70O19 ChemAxon inchi InChI=1S/C44H70O19/c1-17-14-58-44(12-27(17)60-41-38(55)34(51)32(49)28(13-45)61-41)18(2)30-26(63-44)11-22-20-10-24(46)23-9-19(5-7-42(23,3)21(20)6-8-43(22,30)4)59-40-37(54)35(52)33(50)29(62-40)16-57-39-36(53)31(48)25(47)15-56-39/h17-23,25-41,45,47-55H,5-16H2,1-4H3 ChemAxon inchikey IYLGRZBRMFMEOH-UHFFFAOYSA-N ChemAxon polar_surface_area 293.21 ChemAxon refractivity 212.36 ChemAxon polarizability 96.33 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 19 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 78444 Specdb::MsMs 78445 Specdb::MsMs 78446 Specdb::MsMs 138792 Specdb::MsMs 138793 Specdb::MsMs 138794 Specdb::MsMs 2385050 Specdb::MsMs 2385051 Specdb::MsMs 2385052 Specdb::MsMs 2577525 Specdb::MsMs 2577526 Specdb::MsMs 2577527 Specdb::NmrOneD 114598 Specdb::NmrOneD 114599 Specdb::NmrOneD 114600 Specdb::NmrOneD 114601 Specdb::NmrOneD 114602 Specdb::NmrOneD 114603 Specdb::NmrOneD 114604 Specdb::NmrOneD 114605 Specdb::NmrOneD 114606 Specdb::NmrOneD 114607 Specdb::NmrOneD 114608 Specdb::NmrOneD 114609 Specdb::NmrOneD 114610 Specdb::NmrOneD 114611 Specdb::NmrOneD 114612 Specdb::NmrOneD 114613 Specdb::NmrOneD 114614 Specdb::NmrOneD 114615 Specdb::NmrOneD 114616 Specdb::NmrOneD 114617 HMDB32692 #<Reference:0x000055ce32c263b0> 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