1.0 2010-04-08 22:14:53 UTC 2019-11-26 03:18:38 UTC FDB020223 Saponin G Constituent of Hovenia dulcis (raisin tree). Saponin G is found in fruits. Saponin G C42H68O13 780.9815 780.465992262 2-methyl-6-{[2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-16-yl]oxy}oxane-3,4,5-triol 2-methyl-6-{[2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-16-yl]oxy}oxane-3,4,5-triol 79190-13-9 CC1OC(OC2(C)CC(OC34CC5(CO3)C(CCC3C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC53C)C24)C=C(C)C)C(O)C(O)C1O InChI=1S/C42H68O13/c1-20(2)15-22-16-40(8,55-36-33(49)30(46)28(44)21(3)51-36)34-23-9-10-26-38(6)13-12-27(53-35-32(48)31(47)29(45)24(17-43)52-35)37(4,5)25(38)11-14-39(26,7)41(23)18-42(34,54-22)50-19-41/h15,21-36,43-49H,9-14,16-19H2,1-8H3 AIQVSZGMSMEENK-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds Hydrocarbon derivatives Ketals Monosaccharides Naphthalenes Naphthopyrans O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Steroids and steroid derivatives Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Glycosyl compound Hydrocarbon derivative Ketal Monosaccharide Naphthalene Naphthopyran O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Steroid Tetrahydrofuran Triterpenoid logp 2.04 ALOGPS logs -4.19 ALOGPS solubility 5.04e-02 g/l ALOGPS melting_point Mp 257-259° logp 2.43 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-methyl-6-{[2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-16-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 780.9815 ChemAxon mono_mass 780.465992262 ChemAxon smiles CC1OC(OC2(C)CC(OC34CC5(CO3)C(CCC3C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC53C)C24)C=C(C)C)C(O)C(O)C1O ChemAxon formula C42H68O13 ChemAxon inchi InChI=1S/C42H68O13/c1-20(2)15-22-16-40(8,55-36-33(49)30(46)28(44)21(3)51-36)34-23-9-10-26-38(6)13-12-27(53-35-32(48)31(47)29(45)24(17-43)52-35)37(4,5)25(38)11-14-39(26,7)41(23)18-42(34,54-22)50-19-41/h15,21-36,43-49H,9-14,16-19H2,1-8H3 ChemAxon inchikey AIQVSZGMSMEENK-UHFFFAOYSA-N ChemAxon polar_surface_area 196.99 ChemAxon refractivity 198.09 ChemAxon polarizability 87.26 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 785095 Specdb::CMs 785096 Specdb::CMs 785097 Specdb::CMs 785098 Specdb::CMs 785099 Specdb::CMs 785100 Specdb::CMs 785101 Specdb::CMs 785102 Specdb::CMs 785103 Specdb::CMs 785104 Specdb::CMs 785105 Specdb::CMs 785106 Specdb::CMs 785107 Specdb::CMs 785108 Specdb::MsMs 312889 Specdb::MsMs 312890 Specdb::MsMs 312891 Specdb::MsMs 358252 Specdb::MsMs 358253 Specdb::MsMs 358254 Specdb::MsMs 2721351 Specdb::MsMs 2721352 Specdb::MsMs 2721353 Specdb::MsMs 2960421 Specdb::MsMs 2960422 Specdb::MsMs 2960423 HMDB40469 #<Reference:0x000055ce3259feb0> Fruits Unknown generic