1.0 2010-04-08 22:14:13 UTC 2018-05-29 01:41:02 UTC FDB019217 Periandrin V Constituent of Periandra dulcis roots. Natural sweetener Periandrin V C41H62O14 778.9226 778.413956692 6-[(11-carboxy-14b-formyl-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid 6-[(11-carboxy-14b-formyl-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12b,13,14,14a-tetradecahydropicen-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid CC1(C)C(CCC2(C=O)C1CCC1(C)C2CCC2C3=CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OCC(O)C(O)C1O)C(O)=O InChI=1S/C41H62O14/c1-36(2)23-9-11-40(6)24(8-7-20-21-17-38(4,35(50)51)14-13-37(21,3)15-16-39(20,40)5)41(23,19-42)12-10-25(36)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h17,19-20,22-31,33-34,43-47H,7-16,18H2,1-6H3,(H,48,49)(H,50,51) OHGFKHHCPIGSKE-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Triterpene saponins Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds 19-oxosteroids Acetals Aldehydes Beta hydroxy acids and derivatives Carboxylic acids Dicarboxylic acids and derivatives Disaccharides Hydrocarbon derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols Triterpenoids 1-o-glucuronide 19-oxosteroid Acetal Alcohol Aldehyde Aliphatic heteropolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Disaccharide Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxy acid O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Polyol Pyran Secondary alcohol Steroid Triterpene saponin Triterpenoid logp 2.95 ALOGPS logs -4.19 ALOGPS solubility 5.02e-02 g/l ALOGPS melting_point Mp 300° logp 3.04 ChemAxon pka_strongest_acidic 3.45 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 6-[(11-carboxy-14b-formyl-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid ChemAxon average_mass 778.9226 ChemAxon mono_mass 778.413956692 ChemAxon smiles CC1(C)C(CCC2(C=O)C1CCC1(C)C2CCC2C3=CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OCC(O)C(O)C1O)C(O)=O ChemAxon formula C41H62O14 ChemAxon inchi InChI=1S/C41H62O14/c1-36(2)23-9-11-40(6)24(8-7-20-21-17-38(4,35(50)51)14-13-37(21,3)15-16-39(20,40)5)41(23,19-42)12-10-25(36)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h17,19-20,22-31,33-34,43-47H,7-16,18H2,1-6H3,(H,48,49)(H,50,51) ChemAxon inchikey OHGFKHHCPIGSKE-UHFFFAOYSA-N ChemAxon polar_surface_area 229.74 ChemAxon refractivity 193.15 ChemAxon polarizability 83.9 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 784739 Specdb::CMs 784740 Specdb::CMs 784741 Specdb::CMs 784742 Specdb::CMs 784743 Specdb::CMs 784744 Specdb::CMs 784745 Specdb::CMs 784746 Specdb::CMs 784747 Specdb::CMs 784748 Specdb::CMs 784749 Specdb::CMs 784750 Specdb::CMs 784751 Specdb::CMs 784752 Specdb::MsMs 6824 Specdb::MsMs 6825 Specdb::MsMs 6826 Specdb::MsMs 13496 Specdb::MsMs 13497 Specdb::MsMs 13498 Specdb::MsMs 2688014 Specdb::MsMs 2688015 Specdb::MsMs 2688016 Specdb::MsMs 2994455 Specdb::MsMs 2994456 Specdb::MsMs 2994457 HMDB39591 #<Reference:0x000055ce31d72378>