1.0 2010-04-08 22:10:20 UTC 2019-11-26 03:07:31 UTC FDB012749 (3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-[glucosyl-(1->2)-glucoside] 26-glucoside Constituent of the wild asparagus Asparagus africanus. (3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-[glucosyl-(1->2)-glucoside] 26-glucoside is found in green vegetables. (3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-[glucosyl-(1->2)-glucoside] 26-glucoside (3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside] 26-O-b-D-glucopyranoside C46H78O19 935.1001 934.513730314 2-[4-(16-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methoxy-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-(16-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methoxy-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 244779-38-2 COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C46H78O19/c1-20(19-59-41-38(56)35(53)32(50)28(16-47)61-41)8-13-46(58-5)21(2)31-27(65-46)15-26-24-7-6-22-14-23(9-11-44(22,3)25(24)10-12-45(26,31)4)60-43-40(37(55)34(52)30(18-49)63-43)64-42-39(57)36(54)33(51)29(17-48)62-42/h20-43,47-57H,6-19H2,1-5H3 FDASUPFDHLZNSK-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 Alkyl glycosides Disaccharides Diterpene glycosides Diterpenoids Fatty acyl glycosides of mono- and disaccharides Furostanes and derivatives Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Disaccharide Diterpene glycoside Diterpenoid Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furostane-skeleton Glycosyl compound Hydrocarbon derivative Ketal O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal saponin Terpene glycoside Tetrahydrofuran logp -0.02 ALOGPS logs -3.41 ALOGPS solubility 3.61e-01 g/l ALOGPS melting_point Mp 160-161° logp -0.5 ChemAxon pka_strongest_acidic 11.85 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-[4-(16-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methoxy-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 935.1001 ChemAxon mono_mass 934.513730314 ChemAxon smiles COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C46H78O19 ChemAxon inchi InChI=1S/C46H78O19/c1-20(19-59-41-38(56)35(53)32(50)28(16-47)61-41)8-13-46(58-5)21(2)31-27(65-46)15-26-24-7-6-22-14-23(9-11-44(22,3)25(24)10-12-45(26,31)4)60-43-40(37(55)34(52)30(18-49)63-43)64-42-39(57)36(54)33(51)29(17-48)62-42/h20-43,47-57H,6-19H2,1-5H3 ChemAxon inchikey FDASUPFDHLZNSK-UHFFFAOYSA-N ChemAxon polar_surface_area 296.37 ChemAxon refractivity 224.92 ChemAxon polarizability 100.5 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 19 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89076 Specdb::MsMs 89077 Specdb::MsMs 89078 Specdb::MsMs 151926 Specdb::MsMs 151927 Specdb::MsMs 151928 Specdb::MsMs 2663689 Specdb::MsMs 2663690 Specdb::MsMs 2663691 Specdb::MsMs 3015216 Specdb::MsMs 3015217 Specdb::MsMs 3015218 Specdb::NmrOneD 126078 Specdb::NmrOneD 126079 Specdb::NmrOneD 126080 Specdb::NmrOneD 126081 Specdb::NmrOneD 126082 Specdb::NmrOneD 126083 Specdb::NmrOneD 126084 Specdb::NmrOneD 126085 Specdb::NmrOneD 126086 Specdb::NmrOneD 126087 Specdb::NmrOneD 126088 Specdb::NmrOneD 126089 Specdb::NmrOneD 126090 Specdb::NmrOneD 126091 Specdb::NmrOneD 126092 Specdb::NmrOneD 126093 Specdb::NmrOneD 126094 Specdb::NmrOneD 126095 Specdb::NmrOneD 126096 Specdb::NmrOneD 126097 HMDB34375 #<Reference:0x000055ce32ff28b8> Green vegetables Unknown generic