1.0 2010-04-08 22:15:23 UTC 2025-11-19 02:34:51 UTC FDB020978 Lepidimoic acid Isolated from seeds of Lepidium sativum (garden cress). Lepidimoic acid is found in garden cress and brassicas. 1-methyl-3-phenyl-5-(3-propoxyphenyl)pyridin-4-one 2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid 6-Deoxy-2-O-(4-deoxy-b-L-threo-hex-4-enopyranuronosyl)-L-mannose, 9CI Lepidimoide C12H18O10 322.2653 322.089996796 3,4-dihydroxy-2-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylic acid 4,5-dihydroxy-6-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]-5,6-dihydro-4H-pyran-2-carboxylic acid 157676-09-0 CC1OC(O)C(OC2OC(=CC(O)C2O)C(O)=O)C(O)C1O InChI=1S/C12H18O10/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18/h2-4,6-9,11-16,19H,1H3,(H,17,18) PBUKNNGDHZLXKG-UHFFFAOYSA-N belongs to the class of organic compounds known as disaccharides. Disaccharides are compounds containing two carbohydrate moieties linked to each to each other through a glycosidic bond, no set of three or more glycosidically linked carbohydrate units. Disaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Carbonyl compounds Carboxylic acids Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Disaccharide Hemiacetal Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol logp -2.20 ALOGPS logs -0.47 ALOGPS solubility 1.10e+02 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 3.17 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 3,4-dihydroxy-2-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylic acid ChemAxon average_mass 322.2653 ChemAxon mono_mass 322.089996796 ChemAxon smiles CC1OC(O)C(OC2OC(=CC(O)C2O)C(O)=O)C(O)C1O ChemAxon formula C12H18O10 ChemAxon inchi InChI=1S/C12H18O10/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18/h2-4,6-9,11-16,19H,1H3,(H,17,18) ChemAxon inchikey PBUKNNGDHZLXKG-UHFFFAOYSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 67.02 ChemAxon polarizability 29.24 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 44722 Specdb::NmrOneD 44723 Specdb::NmrOneD 44724 Specdb::NmrOneD 44725 Specdb::NmrOneD 44726 Specdb::NmrOneD 44727 Specdb::NmrOneD 44728 Specdb::NmrOneD 44729 Specdb::NmrOneD 44730 Specdb::NmrOneD 44731 Specdb::NmrOneD 44732 Specdb::NmrOneD 44733 Specdb::NmrOneD 44734 Specdb::NmrOneD 44735 Specdb::NmrOneD 44736 Specdb::NmrOneD 44737 Specdb::NmrOneD 44738 Specdb::NmrOneD 44739 Specdb::NmrOneD 44740 Specdb::NmrOneD 44741 Specdb::CMs 11368 Specdb::CMs 47114 Specdb::CMs 147444 Specdb::CMs 147446 Specdb::CMs 147449 Specdb::CMs 147451 Specdb::CMs 170021 Specdb::CMs 279614 Specdb::MsMs 7100 Specdb::MsMs 7101 Specdb::MsMs 7102 Specdb::MsMs 13772 Specdb::MsMs 13773 Specdb::MsMs 13774 Specdb::MsMs 2840202 Specdb::MsMs 2840203 Specdb::MsMs 2840204 Specdb::MsMs 2869452 Specdb::MsMs 2869453 Specdb::MsMs 2869454 HMDB41096 #<Reference:0x000055ce2eced1d0> #<Reference:0x000055ce2ecece60> Brassicas Unknown generic 3705 Garden cress Type 1 specific Lepidium sativum 33125