1.0 2010-04-08 22:13:24 UTC 2025-11-19 02:06:45 UTC FDB017932 ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside Constituent of Phaseolus coccineus (scarlet runner bean) [DFC]. ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside is found in pulses. (ent-6R,16bOH)-6,16,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-b-D-glucopyranoside Coccinin? ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside C26H40O11 528.5892 528.257062122 (1R,2S,5R,6R)-2-[(3S,3aS,4S,7aR)-4,7a-dimethyl-1-oxo-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-2-benzofuran-4-yl]-6-hydroxy-6-(hydroxymethyl)bicyclo[3.2.1]octane-1-carbaldehyde (1R,2S,5R,6R)-2-[(3S,3aS,4S,7aR)-4,7a-dimethyl-1-oxo-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetrahydro-3H-2-benzofuran-4-yl]-6-hydroxy-6-(hydroxymethyl)bicyclo[3.2.1]octane-1-carbaldehyde 132242-50-3 [H][C@]1(CC[C@@H]2C[C@]1(C[C@]2(O)CO)C=O)[C@]1(C)CCC[C@]2(C)[C@H]1[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC2=O InChI=1S/C26H40O11/c1-23(15-5-4-13-8-25(15,11-28)10-26(13,34)12-29)6-3-7-24(2)19(23)21(37-22(24)33)36-20-18(32)17(31)16(30)14(9-27)35-20/h11,13-21,27,29-32,34H,3-10,12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20+,21+,23+,24-,25+,26+/m1/s1 RNCYPVVUMUQCQI-QHGMSFHASA-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 Aldehydes Carboxylic acid esters Cyclic alcohols and derivatives Diterpene lactones Gamma butyrolactones Hexoses Hydrocarbon derivatives Isobenzofurans Kaurane diterpenoids Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aldehyde Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Diterpene glycoside Diterpene lactone Diterpenoid Gamma butyrolactone Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Isobenzofuran Kaurane diterpenoid Lactone 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 Tetrahydrofuran logp -0.31 ALOGPS logs -2.41 ALOGPS solubility 2.08e+00 g/l ALOGPS melting_point Mp 190-193° logp -0.65 ChemAxon pka_strongest_acidic 12.19 ChemAxon pka_strongest_basic -3 ChemAxon iupac (1R,2S,5R,6R)-2-[(3S,3aS,4S,7aR)-4,7a-dimethyl-1-oxo-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-2-benzofuran-4-yl]-6-hydroxy-6-(hydroxymethyl)bicyclo[3.2.1]octane-1-carbaldehyde ChemAxon average_mass 528.5892 ChemAxon mono_mass 528.257062122 ChemAxon smiles [H][C@]1(CC[C@@H]2C[C@]1(C[C@]2(O)CO)C=O)[C@]1(C)CCC[C@]2(C)[C@H]1[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC2=O ChemAxon formula C26H40O11 ChemAxon inchi InChI=1S/C26H40O11/c1-23(15-5-4-13-8-25(15,11-28)10-26(13,34)12-29)6-3-7-24(2)19(23)21(37-22(24)33)36-20-18(32)17(31)16(30)14(9-27)35-20/h11,13-21,27,29-32,34H,3-10,12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20+,21+,23+,24-,25+,26+/m1/s1 ChemAxon inchikey RNCYPVVUMUQCQI-QHGMSFHASA-N ChemAxon polar_surface_area 183.21 ChemAxon refractivity 125.26 ChemAxon polarizability 53.51 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB38546 #<Reference:0x000055ce31d1c428> Pulses Unknown generic