1.0 2010-04-08 22:14:28 UTC 2019-11-26 03:17:41 UTC FDB019609 Pisumionoside Constituent of young seedpods of Pisum sativum. Pisumionoside is found in pulses and common pea. (-)-Pisumionoside Pisumionoside C19H32O9 404.452 404.204632622 (3E)-4-(1,2-dihydroxy-2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)but-3-en-2-one (3E)-4-(1,2-dihydroxy-2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)but-3-en-2-one 371113-06-3 CC(=O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C19H32O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,11-16,20,22-26H,7-9H2,1-4H3/b6-5+ PASRVRCWYGWSDQ-AATRIKPKSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteromonocyclic compounds Acetals Acryloyl compounds Cyclitols and derivatives Cyclohexanols Enones Hexoses Hydrocarbon derivatives Ketones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Sesquiterpenoids Tertiary alcohols Acetal Acryloyl-group Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated ketone Carbonyl group Cyclic alcohol Cyclitol or derivatives Cyclofarsesane sesquiterpenoid Cyclohexanol Enone Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Terpene glycoside Tertiary alcohol logp -0.88 ALOGPS logs -1.97 ALOGPS solubility 4.29e+00 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 12.13 ChemAxon pka_strongest_basic -3 ChemAxon iupac (3E)-4-(1,2-dihydroxy-2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)but-3-en-2-one ChemAxon average_mass 404.452 ChemAxon mono_mass 404.204632622 ChemAxon smiles CC(=O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C19H32O9 ChemAxon inchi InChI=1S/C19H32O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,11-16,20,22-26H,7-9H2,1-4H3/b6-5+ ChemAxon inchikey PASRVRCWYGWSDQ-AATRIKPKSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 98.1 ChemAxon polarizability 41.74 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51099 Specdb::MsMs 51100 Specdb::MsMs 51101 Specdb::MsMs 153534 Specdb::MsMs 153535 Specdb::MsMs 153536 Specdb::MsMs 3059548 Specdb::MsMs 3059549 Specdb::MsMs 3059550 Specdb::MsMs 3107552 Specdb::MsMs 3107553 Specdb::MsMs 3107554 Specdb::CMs 14375 Specdb::CMs 46651 Specdb::CMs 152264 Specdb::CMs 153378 Specdb::CMs 153380 Specdb::CMs 153382 Specdb::CMs 153385 Specdb::CMs 153387 Specdb::CMs 279907 Specdb::NmrOneD 37182 Specdb::NmrOneD 37183 Specdb::NmrOneD 37184 Specdb::NmrOneD 37185 Specdb::NmrOneD 37186 Specdb::NmrOneD 37187 Specdb::NmrOneD 37188 Specdb::NmrOneD 37189 Specdb::NmrOneD 37190 Specdb::NmrOneD 37191 Specdb::NmrOneD 37192 Specdb::NmrOneD 37193 Specdb::NmrOneD 37194 Specdb::NmrOneD 37195 Specdb::NmrOneD 37196 Specdb::NmrOneD 37197 Specdb::NmrOneD 37198 Specdb::NmrOneD 37199 Specdb::NmrOneD 37200 Specdb::NmrOneD 37201 HMDB39947 #<Reference:0x000055ce3090cdc0> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic