1.0 2010-04-08 22:10:50 UTC 2019-11-26 03:08:48 UTC FDB013651 Phaseolus e Isolated from Hordeum vulgare (barley) and Phaseolus coccineus (scarlet runner bean). Phaseolus e is found in many foods, some of which are pulses, barley, scarlet bean, and cereals and cereal products. Gibberellin A8 2-glucoside Gibberellin A8 3-glucopyranoside (incorr.) Phaseolus e C25H34O12 526.5303 526.205026552 5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 18894-12-7 CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(CC(OC3OC(CO)C(O)C(O)C3O)C1O)OC2=O InChI=1S/C25H34O12/c1-9-5-23-8-24(9,34)4-3-12(23)25-6-10(35-20-16(29)15(28)14(27)11(7-26)36-20)18(30)22(2,21(33)37-25)17(25)13(23)19(31)32/h10-18,20,26-30,34H,1,3-8H2,2H3,(H,31,32) RWSSUUKUVKNZLZ-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 logp -1.12 ALOGPS logs -1.62 ALOGPS solubility 1.26e+01 g/l ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 3.91 ChemAxon pka_strongest_basic -0.9 ChemAxon iupac 5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid ChemAxon average_mass 526.5303 ChemAxon mono_mass 526.205026552 ChemAxon smiles CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(CC(OC3OC(CO)C(O)C(O)C3O)C1O)OC2=O ChemAxon formula C25H34O12 ChemAxon inchi InChI=1S/C25H34O12/c1-9-5-23-8-24(9,34)4-3-12(23)25-6-10(35-20-16(29)15(28)14(27)11(7-26)36-20)18(30)22(2,21(33)37-25)17(25)13(23)19(31)32/h10-18,20,26-30,34H,1,3-8H2,2H3,(H,31,32) ChemAxon inchikey RWSSUUKUVKNZLZ-UHFFFAOYSA-N ChemAxon polar_surface_area 203.44 ChemAxon refractivity 119.34 ChemAxon polarizability 52.08 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12458 Specdb::CMs 44149 Specdb::MsMs 56139 Specdb::MsMs 56140 Specdb::MsMs 56141 Specdb::MsMs 111489 Specdb::MsMs 111490 Specdb::MsMs 111491 HMDB35039 #<Reference:0x000055ce33556368> Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Pulses Unknown generic Scarlet bean Type 1 specific Phaseolus coccineus 3886