1.0 2010-04-08 22:15:02 UTC 2019-11-26 03:18:56 UTC FDB020442 16,17-Dihydro-16a,17-dihydroxygibberellin A7 17-glucoside Constituent of rice (Oryza sativa) flower anthers. 16,17-Dihydro-16a,17-dihydroxygibberellin A7 17-glucoside is found in cereals and cereal products. 16,17-Dihydro-16a,17-dihydroxygibberellin A7 17-glucoside 16,17-Dihydro-16a,17-dihydroxygibberellin A7 17-O-b-D-glucopyranoside 16,17-Dihydro-16a,17-dihydroxygibberellin A7 17-O-b-D-glucoside C25H34O12 526.5303 526.205026552 6,12-dihydroxy-11-methyl-16-oxo-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid 6,12-dihydroxy-11-methyl-16-oxo-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid 159858-84-1 CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C=CC2O)C(O)(COC1OC(CO)C(O)C(O)C1O)C5 InChI=1S/C25H34O12/c1-22-13(27)4-5-25(37-21(22)33)12-3-2-10-6-23(12,14(18(22)25)19(31)32)8-24(10,34)9-35-20-17(30)16(29)15(28)11(7-26)36-20/h4-5,10-18,20,26-30,34H,2-3,6-9H2,1H3,(H,31,32) MYDOPTAGDBJRRW-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 C19-gibberellin 6-carboxylic acids Carbonyl compounds Carboxylic acid esters Carboxylic acids Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Diterpene lactones Gamma butyrolactones Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans 20-norgibberellane diterpenoid 20-norgibberellane-6-carboxylic acid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Diterpene glycoside Diterpene lactone Diterpenoid Gamma butyrolactone Gibberellin Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Lactone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -0.95 ALOGPS logs -1.87 ALOGPS solubility 7.07e+00 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 3.91 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6,12-dihydroxy-11-methyl-16-oxo-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid ChemAxon average_mass 526.5303 ChemAxon mono_mass 526.205026552 ChemAxon smiles CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C=CC2O)C(O)(COC1OC(CO)C(O)C(O)C1O)C5 ChemAxon formula C25H34O12 ChemAxon inchi InChI=1S/C25H34O12/c1-22-13(27)4-5-25(37-21(22)33)12-3-2-10-6-23(12,14(18(22)25)19(31)32)8-24(10,34)9-35-20-17(30)16(29)15(28)11(7-26)36-20/h4-5,10-18,20,26-30,34H,2-3,6-9H2,1H3,(H,31,32) ChemAxon inchikey MYDOPTAGDBJRRW-UHFFFAOYSA-N ChemAxon polar_surface_area 203.44 ChemAxon refractivity 120.75 ChemAxon polarizability 52 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 298603 Specdb::MsMs 298604 Specdb::MsMs 298605 Specdb::MsMs 340408 Specdb::MsMs 340409 Specdb::MsMs 340410 Specdb::CMs 14762 Specdb::CMs 46885 HMDB40649 #<Reference:0x000055ce31e21670> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic