1.0 2010-04-08 22:12:06 UTC 2019-11-26 03:12:21 UTC FDB015866 Gibberellin A38 glucosyl ester Isolated from Phaseolus vulgaris (French bean). Gibberellin A38 glucosyl ester is found in pulses, yellow wax bean, and green bean. C26H36O11 524.5574 524.225761994 (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylate (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylate 36702-73-5 [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@@]22CC[C@H](O)[C@@]1(C)C(=O)OC2 InChI=1S/C26H36O11/c1-11-7-25-9-26(11,34)6-3-13(25)24-5-4-14(28)23(2,22(33)35-10-24)19(24)15(25)20(32)37-21-18(31)17(30)16(29)12(8-27)36-21/h12-19,21,27-31,34H,1,3-10H2,2H3/t12-,13+,14+,15-,16-,17+,18-,19-,21+,23-,24-,25+,26+/m1/s1 DDEBJBVQDFATPL-MRSAJBKRSA-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-gibberellins Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Delta valerolactones Dicarboxylic acids and derivatives Diterpene lactones Fatty acyl glycosides of mono- and disaccharides Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols 20-norgibberellane diterpenoid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Delta valerolactone Delta_valerolactone Dicarboxylic acid or derivatives Diterpene glycoside Diterpene lactone Diterpenoid Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Gibberellin Hexose monosaccharide Hydrocarbon derivative Lactone Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol logp -1.02 ALOGPS logs -1.98 ALOGPS solubility 5.55e+00 g/l ALOGPS melting_point Mp 259-261° logp -1.7 ChemAxon pka_strongest_acidic 12.19 ChemAxon pka_strongest_basic -0.9 ChemAxon iupac (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylate ChemAxon average_mass 524.5574 ChemAxon mono_mass 524.225761994 ChemAxon smiles [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@@]22CC[C@H](O)[C@@]1(C)C(=O)OC2 ChemAxon formula C26H36O11 ChemAxon inchi InChI=1S/C26H36O11/c1-11-7-25-9-26(11,34)6-3-13(25)24-5-4-14(28)23(2,22(33)35-10-24)19(24)15(25)20(32)37-21-18(31)17(30)16(29)12(8-27)36-21/h12-19,21,27-31,34H,1,3-10H2,2H3/t12-,13+,14+,15-,16-,17+,18-,19-,21+,23-,24-,25+,26+/m1/s1 ChemAxon inchikey DDEBJBVQDFATPL-MRSAJBKRSA-N ChemAxon polar_surface_area 183.21 ChemAxon refractivity 122.76 ChemAxon polarizability 52.78 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 2286391 Specdb::MsMs 2286392 Specdb::MsMs 2286393 Specdb::MsMs 3082062 Specdb::MsMs 3082063 Specdb::MsMs 3082064 Specdb::CMs 178524 Specdb::CMs 178525 Specdb::CMs 178526 Specdb::CMs 178527 Specdb::CMs 178528 Specdb::CMs 280911 Specdb::NmrOneD 137390 Specdb::NmrOneD 137391 Specdb::NmrOneD 137392 Specdb::NmrOneD 137393 Specdb::NmrOneD 137394 Specdb::NmrOneD 137395 Specdb::NmrOneD 137396 Specdb::NmrOneD 137397 Specdb::NmrOneD 137398 Specdb::NmrOneD 137399 Specdb::NmrOneD 137400 Specdb::NmrOneD 137401 Specdb::NmrOneD 137402 Specdb::NmrOneD 137403 Specdb::NmrOneD 137404 Specdb::NmrOneD 137405 Specdb::NmrOneD 137406 Specdb::NmrOneD 137407 Specdb::NmrOneD 137408 Specdb::NmrOneD 137409 HMDB36903 #<Reference:0x000055ce31891bb0> Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Yellow wax bean Type 1 specific Phaseolus vulgaris 3885