1.0 2010-04-08 22:09:42 UTC 2018-05-28 22:27:50 UTC FDB011545 Tetronasin Isolated from Streptomyces longisporoflavus. Investigated as ruminant feed additive. Antibiotic M 139603 ICI 139603 M 139603 Tetronasina Tetronasine Tetronasinum C35H53O8 601.7905 601.374043672 1-[(3Z)-2,4-dioxooxolan-3-ylidene]-2-{2-[(1E)-3-hydroxy-2-{6-[(1Z)-3-[5-(1-methoxyethyl)-3-methyloxolan-2-yl]but-1-en-1-yl]-3-methyloxan-2-yl}prop-1-en-1-yl]-6-methylcyclohexyl}propan-1-olate 1-[(3Z)-2,4-dioxooxolan-3-ylidene]-2-{2-[(1E)-3-hydroxy-2-{6-[(1Z)-3-[5-(1-methoxyethyl)-3-methyloxolan-2-yl]but-1-en-1-yl]-3-methyloxan-2-yl}prop-1-en-1-yl]-6-methylcyclohexyl}propan-1-olate 75139-06-9 COC(C)C1CC(C)C(O1)C(C)\C=C/C1CCC(C)C(O1)C(\CO)=C\C1CCCC(C)C1C(C)C(\[O-])=C1/C(=O)COC1=O InChI=1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36,38H,8-10,12,14-15,17-18H2,1-7H3/p-1/b13-11-,26-16+,32-31- XZJAKURZQBNKKX-VLHAQUCHSA-M belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteromonocyclic compounds Cyclic ketones Dialkyl ethers Enoate esters Enolates Furanones Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic anions Organic oxides Oxacyclic compounds Oxanes Primary alcohols Terpene lactones Tetrahydrofurans Vinylogous acids 3-furanone Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Dialkyl ether Enoate ester Enolate Ether Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Monocyclic monoterpenoid Monoterpenoid Organic anion Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Primary alcohol Terpene glycoside Terpene lactone Tetrahydrofuran Vinylogous acid logp 5.37 ALOGPS logs -5.94 ALOGPS solubility 7.16e-04 g/l ALOGPS logp 5.66 ChemAxon pka_strongest_acidic 2.84 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 1-[(3Z)-2,4-dioxooxolan-3-ylidene]-2-{2-[(1E)-3-hydroxy-2-{6-[(1Z)-3-[5-(1-methoxyethyl)-3-methyloxolan-2-yl]but-1-en-1-yl]-3-methyloxan-2-yl}prop-1-en-1-yl]-6-methylcyclohexyl}propan-1-olate ChemAxon average_mass 601.7905 ChemAxon mono_mass 601.374043672 ChemAxon smiles COC(C)C1CC(C)C(O1)C(C)\C=C/C1CCC(C)C(O1)C(\CO)=C\C1CCCC(C)C1C(C)C(\[O-])=C1/C(=O)COC1=O ChemAxon formula C35H53O8 ChemAxon inchi InChI=1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36,38H,8-10,12,14-15,17-18H2,1-7H3/p-1/b13-11-,26-16+,32-31- ChemAxon inchikey XZJAKURZQBNKKX-VLHAQUCHSA-M ChemAxon polar_surface_area 114.35 ChemAxon refractivity 178.98 ChemAxon polarizability 67.11 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::MsMs 369931 Specdb::MsMs 369932 Specdb::MsMs 369933 HMDB33494 #<Reference:0x000055ce32056440>