1.0 2010-04-08 22:11:42 UTC 2019-11-26 03:11:15 UTC FDB015186 Canavalioside Constituent of Canavalia gladiata (sword bean). Canavalioside is found in pulses. Canavalioside C26H42O12 546.6045 546.267626808 2,3,13,14-tetrahydroxy-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-carboxylic acid 2,3,13,14-tetrahydroxy-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-carboxylic acid 316141-31-8 CC12CCCC(C)(C1C(O)C(O)C13CC(O)(COC4OC(CO)C(O)C(O)C4O)C(O)(C1)CCC23)C(O)=O InChI=1S/C26H42O12/c1-22-5-3-6-23(2,21(33)34)18(22)17(31)19(32)24-9-25(35,7-4-13(22)24)26(36,10-24)11-37-20-16(30)15(29)14(28)12(8-27)38-20/h12-20,27-32,35-36H,3-11H2,1-2H3,(H,33,34) HVFLAHBPOQXZBM-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 acids Cyclic alcohols and derivatives Hexoses 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 Carboxylic acid derivative Cyclic alcohol Diterpene glycoside Diterpenoid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Kaurane diterpenoid Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol logp -1.51 ALOGPS logs -1.89 ALOGPS solubility 7.00e+00 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 4.27 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2,3,13,14-tetrahydroxy-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-carboxylic acid ChemAxon average_mass 546.6045 ChemAxon mono_mass 546.267626808 ChemAxon smiles CC12CCCC(C)(C1C(O)C(O)C13CC(O)(COC4OC(CO)C(O)C(O)C4O)C(O)(C1)CCC23)C(O)=O ChemAxon formula C26H42O12 ChemAxon inchi InChI=1S/C26H42O12/c1-22-5-3-6-23(2,21(33)34)18(22)17(31)19(32)24-9-25(35,7-4-13(22)24)26(36,10-24)11-37-20-16(30)15(29)14(28)12(8-27)38-20/h12-20,27-32,35-36H,3-11H2,1-2H3,(H,33,34) ChemAxon inchikey HVFLAHBPOQXZBM-UHFFFAOYSA-N ChemAxon polar_surface_area 217.6 ChemAxon refractivity 127.48 ChemAxon polarizability 55.73 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 135238 Specdb::NmrOneD 135239 Specdb::NmrOneD 135240 Specdb::NmrOneD 135241 Specdb::NmrOneD 135242 Specdb::NmrOneD 135243 Specdb::NmrOneD 135244 Specdb::NmrOneD 135245 Specdb::NmrOneD 135246 Specdb::NmrOneD 135247 Specdb::NmrOneD 135248 Specdb::NmrOneD 135249 Specdb::NmrOneD 135250 Specdb::NmrOneD 135251 Specdb::NmrOneD 135252 Specdb::NmrOneD 135253 Specdb::NmrOneD 135254 Specdb::NmrOneD 135255 Specdb::NmrOneD 135256 Specdb::NmrOneD 135257 Specdb::MsMs 85281 Specdb::MsMs 85282 Specdb::MsMs 85283 Specdb::MsMs 147354 Specdb::MsMs 147355 Specdb::MsMs 147356 Specdb::MsMs 2412616 Specdb::MsMs 2412617 Specdb::MsMs 2412618 Specdb::MsMs 2550024 Specdb::MsMs 2550025 Specdb::MsMs 2550026 Specdb::CMs 13558 Specdb::CMs 44810 Specdb::CMs 281625 Specdb::CMs 304031 Specdb::CMs 304032 Specdb::CMs 304033 Specdb::CMs 304034 Specdb::CMs 304035 Specdb::CMs 304036 Specdb::CMs 304037 Specdb::CMs 304038 Specdb::CMs 304039 Specdb::CMs 304040 Specdb::CMs 304041 Specdb::CMs 304042 Specdb::CMs 304043 Specdb::CMs 304044 Specdb::CMs 304045 Specdb::CMs 304046 Specdb::CMs 304047 Specdb::CMs 304048 Specdb::CMs 304049 Specdb::CMs 304050 Specdb::CMs 304051 Specdb::CMs 304052 HMDB36317 #<Reference:0x000055ce32795878> Pulses Unknown generic