1.0 2010-04-08 22:11:53 UTC 2018-05-29 01:19:27 UTC FDB015504 Validamycin A It is used in control of fungal infection in rice, potatoes, strawberries and other crops Antibiotic T 7545A Mycin Rhizocin Solacol T 7545A Validacin Validamycin Validamycin A Validamycin, JMAF Valimon C20H35NO13 497.4908 497.210840211 2-(hydroxymethyl)-6-[(2,3,5-trihydroxy-6-methyl-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl)oxy]oxane-3,4,5-triol 2-(hydroxymethyl)-6-[(2,3,5-trihydroxy-6-methyl-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl)oxy]oxane-3,4,5-triol 37248-47-8 CC1C(O)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C20H35NO13/c1-5-10(24)9(21-7-2-6(3-22)11(25)15(29)12(7)26)14(28)17(31)19(5)34-20-18(32)16(30)13(27)8(4-23)33-20/h2,5,7-32H,3-4H2,1H3 PJASXVPPJJZEIB-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds 1,2-aminoalcohols Acetals Aminocyclitols Cyclohexanols Cyclohexylamines Dialkylamines Hydrocarbon derivatives Monosaccharides Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols 1,2-aminoalcohol Acetal Alcohol Aliphatic heteromonocyclic compound Amine Aminocyclitol Aminocyclitol or derivatives Cyclic alcohol Cyclitol or derivatives Cyclohexanol Cyclohexylamine Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine logp -2.66 ALOGPS logs -0.55 ALOGPS solubility 1.40e+02 g/l ALOGPS melting_point Mp 130-135° dec. logp -6.6 ChemAxon pka_strongest_acidic 12.08 ChemAxon pka_strongest_basic 7.19 ChemAxon iupac 2-(hydroxymethyl)-6-[(2,3,5-trihydroxy-6-methyl-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl)oxy]oxane-3,4,5-triol ChemAxon average_mass 497.4908 ChemAxon mono_mass 497.210840211 ChemAxon smiles CC1C(O)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C20H35NO13 ChemAxon inchi InChI=1S/C20H35NO13/c1-5-10(24)9(21-7-2-6(3-22)11(25)15(29)12(7)26)14(28)17(31)19(5)34-20-18(32)16(30)13(27)8(4-23)33-20/h2,5,7-32H,3-4H2,1H3 ChemAxon inchikey PJASXVPPJJZEIB-UHFFFAOYSA-N ChemAxon polar_surface_area 253.02 ChemAxon refractivity 109.9 ChemAxon polarizability 48.02 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 14 ChemAxon donor_count 12 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9854 Specdb::CMs 44917 Specdb::CMs 160959 Specdb::CMs 167498 Specdb::CMs 167500 Specdb::CMs 167502 Specdb::CMs 167504 Specdb::CMs 167506 Specdb::CMs 280613 Specdb::NmrOneD 136570 Specdb::NmrOneD 136571 Specdb::NmrOneD 136572 Specdb::NmrOneD 136573 Specdb::NmrOneD 136574 Specdb::NmrOneD 136575 Specdb::NmrOneD 136576 Specdb::NmrOneD 136577 Specdb::NmrOneD 136578 Specdb::NmrOneD 136579 Specdb::NmrOneD 136580 Specdb::NmrOneD 136581 Specdb::NmrOneD 136582 Specdb::NmrOneD 136583 Specdb::NmrOneD 136584 Specdb::NmrOneD 136585 Specdb::NmrOneD 136586 Specdb::NmrOneD 136587 Specdb::NmrOneD 136588 Specdb::NmrOneD 136589 Specdb::MsMs 48795 Specdb::MsMs 48796 Specdb::MsMs 48797 Specdb::MsMs 157536 Specdb::MsMs 157537 Specdb::MsMs 157538 Specdb::MsMs 2718432 Specdb::MsMs 2718433 Specdb::MsMs 2718434 Specdb::MsMs 2964345 Specdb::MsMs 2964346 Specdb::MsMs 2964347 HMDB36592 #<Reference:0x000055ce326556c0>