1.0 2010-04-08 22:15:06 UTC 2018-05-29 01:47:09 UTC FDB020555 Polypodoside C Constituent of the rhizomes of the licorice fern Polypodium glycyrrhiza. Natural sweetener, see above Polypodoside C C40H64O13 752.9284 752.434692134 14-(1-{6-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5-methyloxan-2-yl}ethyl)-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one 14-(1-{6-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5-methyloxan-2-yl}ethyl)-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one 120015-17-0 COC1C(O)C(C)OC(OC2OC(CCC2C)C(C)C2CCC3C4=CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)C1O InChI=1S/C40H64O13/c1-18-7-10-28(51-36(18)53-38-34(47)35(48-6)30(43)20(3)49-38)19(2)23-8-9-24-22-16-27(42)26-15-21(11-13-40(26,5)25(22)12-14-39(23,24)4)50-37-33(46)32(45)31(44)29(17-41)52-37/h16,18-21,23-26,28-38,41,43-47H,7-15,17H2,1-6H3 NDAYDFGEXFEFMC-UHFFFAOYSA-N belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Aspartic acid and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Amino acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Aspartic acid or derivatives Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Hydrocarbon derivative L-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Amino acids Common amino acids L-alpha-amino acid aspartate family amino acid aspartic acid proteinogenic amino acid logp 2.08 ALOGPS logs -3.90 ALOGPS solubility 9.48e-02 g/l ALOGPS logp 2.71 ChemAxon pka_strongest_acidic 11.95 ChemAxon pka_strongest_basic -3 ChemAxon iupac 14-(1-{6-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5-methyloxan-2-yl}ethyl)-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one ChemAxon average_mass 752.9284 ChemAxon mono_mass 752.434692134 ChemAxon smiles COC1C(O)C(C)OC(OC2OC(CCC2C)C(C)C2CCC3C4=CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)C1O ChemAxon formula C40H64O13 ChemAxon inchi InChI=1S/C40H64O13/c1-18-7-10-28(51-36(18)53-38-34(47)35(48-6)30(43)20(3)49-38)19(2)23-8-9-24-22-16-27(42)26-15-21(11-13-40(26,5)25(22)12-14-39(23,24)4)50-37-33(46)32(45)31(44)29(17-41)52-37/h16,18-21,23-26,28-38,41,43-47H,7-15,17H2,1-6H3 ChemAxon inchikey NDAYDFGEXFEFMC-UHFFFAOYSA-N ChemAxon polar_surface_area 193.83 ChemAxon refractivity 190.31 ChemAxon polarizability 83.1 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 308128 Specdb::MsMs 308129 Specdb::MsMs 308130 Specdb::MsMs 352246 Specdb::MsMs 352247 Specdb::MsMs 352248 HMDB40745 #<Reference:0x000055ce31a528c8>