1.0 2010-04-08 22:12:15 UTC 2025-11-19 01:44:13 UTC FDB016120 Pisumoside A Constituent of Pisum sativum (pea). Pisumoside A is found in pulses and common pea. (-)-Pisumoside A Pisumoside A C38H62O21 854.8863 854.378359046 4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 2,3,13-trihydroxy-5,9-dimethyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate 4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 2,3,13-trihydroxy-5,9-dimethyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate 333334-42-2 CC12CCCC(C)(C1C(O)C(O)C13CC(COC4OC(CO)C(O)C(O)C4O)C(O)(C1)CCC23)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C38H62O21/c1-35-5-3-6-36(2,34(52)59-33-28(24(47)21(44)17(11-41)57-33)58-32-26(49)23(46)20(43)16(10-40)56-32)29(35)27(50)30(51)37-8-14(38(53,13-37)7-4-18(35)37)12-54-31-25(48)22(45)19(42)15(9-39)55-31/h14-33,39-51,53H,3-13H2,1-2H3 KOGDNIPXKVTMKI-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Diterpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Disaccharides Hydrocarbon derivatives Kaurane diterpenoids Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Disaccharide Diterpene glycoside Diterpenoid Glycosyl compound Hydrocarbon derivative Kaurane diterpenoid Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol logp -1.94 ALOGPS logs -1.69 ALOGPS solubility 1.73e+01 g/l ALOGPS logp -5.5 ChemAxon pka_strongest_acidic 11.85 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 2,3,13-trihydroxy-5,9-dimethyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate ChemAxon average_mass 854.8863 ChemAxon mono_mass 854.378359046 ChemAxon smiles CC12CCCC(C)(C1C(O)C(O)C13CC(COC4OC(CO)C(O)C(O)C4O)C(O)(C1)CCC23)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C38H62O21 ChemAxon inchi InChI=1S/C38H62O21/c1-35-5-3-6-36(2,34(52)59-33-28(24(47)21(44)17(11-41)57-33)58-32-26(49)23(46)20(43)16(10-40)56-32)29(35)27(50)30(51)37-8-14(38(53,13-37)7-4-18(35)37)12-54-31-25(48)22(45)19(42)15(9-39)55-31/h14-33,39-51,53H,3-13H2,1-2H3 ChemAxon inchikey KOGDNIPXKVTMKI-UHFFFAOYSA-N ChemAxon polar_surface_area 355.67 ChemAxon refractivity 191.08 ChemAxon polarizability 86.51 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 20 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 139030 Specdb::NmrOneD 139031 Specdb::NmrOneD 139032 Specdb::NmrOneD 139033 Specdb::NmrOneD 139034 Specdb::NmrOneD 139035 Specdb::NmrOneD 139036 Specdb::NmrOneD 139037 Specdb::NmrOneD 139038 Specdb::NmrOneD 139039 Specdb::NmrOneD 139040 Specdb::NmrOneD 139041 Specdb::NmrOneD 139042 Specdb::NmrOneD 139043 Specdb::NmrOneD 139044 Specdb::NmrOneD 139045 Specdb::NmrOneD 139046 Specdb::NmrOneD 139047 Specdb::NmrOneD 139048 Specdb::NmrOneD 139049 Specdb::MsMs 92025 Specdb::MsMs 92026 Specdb::MsMs 92027 Specdb::MsMs 155568 Specdb::MsMs 155569 Specdb::MsMs 155570 Specdb::MsMs 3052115 Specdb::MsMs 3052116 Specdb::MsMs 3052117 Specdb::MsMs 3114818 Specdb::MsMs 3114819 Specdb::MsMs 3114820 HMDB37126 #<Reference:0x000055ce30dfa440> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic