1.0 2010-04-08 22:09:39 UTC 2019-11-26 03:04:56 UTC FDB011448 Gibberellin A20 13-glucoside Constituent of barley Hordeum vulgare. Gibberellin A20 13-glucoside is found in barley and cereals and cereal products. Gibberellin A20 13-glucoside Gibberellin A20 13-O-b-D-glucopyranoside Gibberellin A20 13-O-b-D-glucoside C25H34O10 494.5315 494.215197308 11-methyl-6-methylidene-16-oxo-5-{[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 11-methyl-6-methylidene-16-oxo-5-{[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 73607-09-7 CC12CCCC3(OC1=O)C1CCC4(CC1(CC4=C)C(C23)C(O)=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C25H34O10/c1-11-8-23-10-24(11,34-20-17(29)16(28)15(27)12(9-26)33-20)7-4-13(23)25-6-3-5-22(2,21(32)35-25)18(25)14(23)19(30)31/h12-18,20,26-29H,1,3-10H2,2H3,(H,30,31) ZXTKKUHKNXKMEL-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 -0.12 ALOGPS logs -2.21 ALOGPS solubility 3.03e+00 g/l ALOGPS logp -0.14 ChemAxon pka_strongest_acidic 4.02 ChemAxon pka_strongest_basic -3 ChemAxon iupac 11-methyl-6-methylidene-16-oxo-5-{[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 494.5315 ChemAxon mono_mass 494.215197308 ChemAxon smiles CC12CCCC3(OC1=O)C1CCC4(CC1(CC4=C)C(C23)C(O)=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C25H34O10 ChemAxon inchi InChI=1S/C25H34O10/c1-11-8-23-10-24(11,34-20-17(29)16(28)15(27)12(9-26)33-20)7-4-13(23)25-6-3-5-22(2,21(32)35-25)18(25)14(23)19(30)31/h12-18,20,26-29H,1,3-10H2,2H3,(H,30,31) ChemAxon inchikey ZXTKKUHKNXKMEL-UHFFFAOYSA-N ChemAxon polar_surface_area 162.98 ChemAxon refractivity 116.5 ChemAxon polarizability 50.08 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21601 Specdb::CMs 43281 Specdb::MsMs 100362 Specdb::MsMs 100363 Specdb::MsMs 100364 Specdb::MsMs 165672 Specdb::MsMs 165673 Specdb::MsMs 165674 HMDB33412 #<Reference:0x000055ce31dab920> Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic