1.0 2010-04-08 22:04:32 UTC 2019-11-26 02:54:42 UTC FDB000375 Asparagoside B Constituent of Asparagus officinalis (asparagus). Asparagoside B is found in green vegetables. Asparagoside B C33H56O9 596.7923 596.39243339 2-(4-{6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-(4-{6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol 60237-69-6 CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O InChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3 FBJYDOQUXQMQSS-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 3-hydroxysteroids Acetals Alkyl glycosides Cyclic alcohols and derivatives Fatty acyl glycosides of mono- and disaccharides Furostanes and derivatives Hemiacetals Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans 22-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furostane-skeleton Glycosyl compound Hemiacetal Hexose monosaccharide Hydrocarbon derivative Hydroxysteroid Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal saponin Tetrahydrofuran logp 1.99 ALOGPS logs -4.42 ALOGPS solubility 2.29e-02 g/l ALOGPS logp 2.4 ChemAxon pka_strongest_acidic 11.69 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 2-(4-{6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 596.7923 ChemAxon mono_mass 596.39243339 ChemAxon smiles CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C33H56O9 ChemAxon inchi InChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3 ChemAxon inchikey FBJYDOQUXQMQSS-UHFFFAOYSA-N ChemAxon polar_surface_area 149.07 ChemAxon refractivity 155.34 ChemAxon polarizability 68.02 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89532 Specdb::MsMs 89533 Specdb::MsMs 89534 Specdb::MsMs 152478 Specdb::MsMs 152479 Specdb::MsMs 152480 Specdb::MsMs 2832501 Specdb::MsMs 2832502 Specdb::MsMs 2832503 Specdb::MsMs 2850463 Specdb::MsMs 2850464 Specdb::MsMs 2850465 Specdb::CMs 11645 Specdb::CMs 41270 Specdb::CMs 455830 Specdb::CMs 455831 Specdb::CMs 455832 Specdb::CMs 455833 Specdb::CMs 455834 Specdb::CMs 455835 Specdb::CMs 455836 Specdb::CMs 455837 Specdb::CMs 455838 Specdb::CMs 455839 Specdb::CMs 455840 Specdb::CMs 455841 Specdb::CMs 455842 Specdb::CMs 455843 Specdb::CMs 455844 Specdb::CMs 455845 Specdb::CMs 455846 Specdb::CMs 455847 Specdb::CMs 455848 Specdb::CMs 455849 Specdb::CMs 455850 Specdb::CMs 455851 Specdb::CMs 455852 HMDB29315 #<Reference:0x000055ce30f5a0d8> Green vegetables Unknown generic