1.0 2010-04-08 22:10:33 UTC 2019-11-26 03:08:03 UTC FDB013159 Phytolaccasaponin G From Phytolacca americana (pokeberry). Phytolaccasaponin G is found in fruits, green vegetables, and american pokeweed. Phytolaccasaponin G Phytolaccoside B C36H56O11 664.8232 664.382262634 11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid 60820-94-2 COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43) SFZVDNKTWPZIJG-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 12-hydroxysteroids Acetals Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Hydrocarbon derivatives Methyl esters Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 12-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxysteroid Methyl ester Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpenoid logp 2.46 ALOGPS logs -3.94 ALOGPS solubility 7.70e-02 g/l ALOGPS melting_point Mp 266-269° logp 2.44 ChemAxon pka_strongest_acidic 4.52 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid ChemAxon average_mass 664.8232 ChemAxon mono_mass 664.382262634 ChemAxon smiles COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O ChemAxon formula C36H56O11 ChemAxon inchi InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43) ChemAxon inchikey SFZVDNKTWPZIJG-UHFFFAOYSA-N ChemAxon polar_surface_area 183.21 ChemAxon refractivity 169.7 ChemAxon polarizability 72.87 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9932 Specdb::MsMs 9933 Specdb::MsMs 9934 Specdb::MsMs 16604 Specdb::MsMs 16605 Specdb::MsMs 16606 Specdb::MsMs 2300790 Specdb::MsMs 2300791 Specdb::MsMs 2300792 Specdb::MsMs 3064727 Specdb::MsMs 3064728 Specdb::MsMs 3064729 Specdb::CMs 676240 Specdb::CMs 676241 Specdb::CMs 676242 Specdb::CMs 676243 Specdb::CMs 676244 Specdb::CMs 676245 Specdb::CMs 676246 Specdb::CMs 676247 Specdb::CMs 676248 Specdb::CMs 676249 Specdb::CMs 676250 Specdb::CMs 676251 Specdb::CMs 676252 Specdb::CMs 676253 Specdb::CMs 676254 Specdb::CMs 676255 Specdb::CMs 676256 Specdb::CMs 676257 Specdb::CMs 676258 Specdb::CMs 676259 Specdb::CMs 676260 Specdb::CMs 676261 Specdb::CMs 676262 Specdb::CMs 676263 Specdb::CMs 676264 HMDB34636 #<Reference:0x000055ce323cd5b0> American pokeweed Type 1 specific Phytolacca americana 3527 Fruits Unknown generic Green vegetables Unknown generic