1.0 2010-04-08 22:12:15 UTC 2025-11-19 01:44:12 UTC FDB016119 Pisumoside B Constituent of Pisum sativum (pea). Pisumoside B is found in pulses and common pea. (-)-Pisumoside B Pisumoside B C32H52O16 692.7457 692.325535616 4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 2,3,13-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[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-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate 333334-43-3 CC12CCCC(C)(C1C(O)C(O)C13CC(CO)C(O)(C1)CCC23)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C32H52O16/c1-29-5-3-6-30(2,24(29)22(41)25(42)31-8-13(9-33)32(44,12-31)7-4-16(29)31)28(43)48-27-23(20(39)18(37)15(11-35)46-27)47-26-21(40)19(38)17(36)14(10-34)45-26/h13-27,33-42,44H,3-12H2,1-2H3 YOTRDVISFUJMJN-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 -1.67 ALOGPS logs -1.80 ALOGPS solubility 1.10e+01 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 12.07 ChemAxon pka_strongest_basic -3 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-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate ChemAxon average_mass 692.7457 ChemAxon mono_mass 692.325535616 ChemAxon smiles CC12CCCC(C)(C1C(O)C(O)C13CC(CO)C(O)(C1)CCC23)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C32H52O16 ChemAxon inchi InChI=1S/C32H52O16/c1-29-5-3-6-30(2,24(29)22(41)25(42)31-8-13(9-33)32(44,12-31)7-4-16(29)31)28(43)48-27-23(20(39)18(37)15(11-35)46-27)47-26-21(40)19(38)17(36)14(10-34)45-26/h13-27,33-42,44H,3-12H2,1-2H3 ChemAxon inchikey YOTRDVISFUJMJN-UHFFFAOYSA-N ChemAxon polar_surface_area 276.52 ChemAxon refractivity 158.67 ChemAxon polarizability 71.05 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 15 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 739868 Specdb::CMs 739869 Specdb::CMs 739870 Specdb::CMs 739871 Specdb::CMs 739872 Specdb::CMs 739873 Specdb::CMs 739874 Specdb::CMs 739875 Specdb::CMs 739876 Specdb::CMs 739877 Specdb::CMs 739878 Specdb::CMs 739879 Specdb::CMs 739880 Specdb::CMs 739881 Specdb::CMs 739882 Specdb::CMs 739883 Specdb::CMs 739884 Specdb::CMs 739885 Specdb::CMs 739886 Specdb::CMs 739887 Specdb::CMs 739888 Specdb::CMs 739889 Specdb::CMs 739890 Specdb::CMs 739891 Specdb::CMs 739892 Specdb::NmrOneD 139010 Specdb::NmrOneD 139011 Specdb::NmrOneD 139012 Specdb::NmrOneD 139013 Specdb::NmrOneD 139014 Specdb::NmrOneD 139015 Specdb::NmrOneD 139016 Specdb::NmrOneD 139017 Specdb::NmrOneD 139018 Specdb::NmrOneD 139019 Specdb::NmrOneD 139020 Specdb::NmrOneD 139021 Specdb::NmrOneD 139022 Specdb::NmrOneD 139023 Specdb::NmrOneD 139024 Specdb::NmrOneD 139025 Specdb::NmrOneD 139026 Specdb::NmrOneD 139027 Specdb::NmrOneD 139028 Specdb::NmrOneD 139029 Specdb::MsMs 49017 Specdb::MsMs 49018 Specdb::MsMs 49019 Specdb::MsMs 147603 Specdb::MsMs 147604 Specdb::MsMs 147605 Specdb::MsMs 2318933 Specdb::MsMs 2318934 Specdb::MsMs 2318935 Specdb::MsMs 2619215 Specdb::MsMs 2619216 Specdb::MsMs 2619217 HMDB37125 #<Reference:0x000055ce2ed4a470> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic