1.0 2010-04-08 22:11:39 UTC 2019-11-26 03:11:11 UTC FDB015100 Glucosinalbin 4-rhamnoside Constituent of Moringa oleifera (horseradish tree) and Moringa peregrina. Glucosinalbin 4-rhamnoside is found in fats and oils, herbs and spices, and green vegetables. 4-O-a-L-Rhamnopyranosylglucosinalbin Glucosinalbin 4-O-alpha-L-rhamnopyranoside Glucosinalbin 4-O-alpha-L-rhamnoside Glucosinalbin 4-rhamnoside C20H29NO14S2 571.573 571.102946021 {[(E)-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}ethylidene)amino]oxy}sulfonic acid [(E)-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}ethylidene)amino]oxysulfonic acid 74542-19-1 CC1OC(OC2=CC=C(C\C(SC3OC(CO)C(O)C(O)C3O)=N/OS(O)(=O)=O)C=C2)C(O)C(O)C1O InChI=1S/C20H29NO14S2/c1-8-13(23)15(25)17(27)19(32-8)33-10-4-2-9(3-5-10)6-12(21-35-37(29,30)31)36-20-18(28)16(26)14(24)11(7-22)34-20/h2-5,8,11,13-20,22-28H,6-7H2,1H3,(H,29,30,31)/b21-12+ DMPSBIMDSBBEQA-CIAFOILYSA-N belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Alkylglucosinolates Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Hydrocarbon derivatives Monothioacetals O-glycosyl compounds Organic oxides Organic sulfuric acids and derivatives Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Sulfenyl compounds Thioglycosides Acetal Alcohol Alkylglucosinolate Aromatic heteromonocyclic compound Benzenoid Glycosyl compound Hydrocarbon derivative Monocyclic benzene moiety Monothioacetal O-glycosyl compound Organic nitrogen compound Organic oxide Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Organosulfur compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol S-glycosyl compound Secondary alcohol Sulfenyl compound logp -1.34 ALOGPS logs -1.85 ALOGPS solubility 8.14e+00 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic -2.1 ChemAxon pka_strongest_basic -3 ChemAxon iupac {[(E)-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}ethylidene)amino]oxy}sulfonic acid ChemAxon average_mass 571.573 ChemAxon mono_mass 571.102946021 ChemAxon smiles CC1OC(OC2=CC=C(C\C(SC3OC(CO)C(O)C(O)C3O)=N/OS(O)(=O)=O)C=C2)C(O)C(O)C1O ChemAxon formula C20H29NO14S2 ChemAxon inchi InChI=1S/C20H29NO14S2/c1-8-13(23)15(25)17(27)19(32-8)33-10-4-2-9(3-5-10)6-12(21-35-37(29,30)31)36-20-18(28)16(26)14(24)11(7-22)34-20/h2-5,8,11,13-20,22-28H,6-7H2,1H3,(H,29,30,31)/b21-12+ ChemAxon inchikey DMPSBIMDSBBEQA-CIAFOILYSA-N ChemAxon polar_surface_area 245.26 ChemAxon refractivity 122.73 ChemAxon polarizability 54.13 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 134578 Specdb::NmrOneD 134579 Specdb::NmrOneD 134580 Specdb::NmrOneD 134581 Specdb::NmrOneD 134582 Specdb::NmrOneD 134583 Specdb::NmrOneD 134584 Specdb::NmrOneD 134585 Specdb::NmrOneD 134586 Specdb::NmrOneD 134587 Specdb::NmrOneD 134588 Specdb::NmrOneD 134589 Specdb::NmrOneD 134590 Specdb::NmrOneD 134591 Specdb::NmrOneD 134592 Specdb::NmrOneD 134593 Specdb::NmrOneD 134594 Specdb::NmrOneD 134595 Specdb::NmrOneD 134596 Specdb::NmrOneD 134597 Specdb::CMs 13824 Specdb::CMs 44779 Specdb::CMs 282370 Specdb::CMs 369256 Specdb::CMs 369257 Specdb::CMs 369258 Specdb::CMs 369259 Specdb::CMs 369260 Specdb::CMs 369261 Specdb::CMs 369262 Specdb::CMs 369263 Specdb::CMs 369264 Specdb::CMs 369265 Specdb::CMs 369266 Specdb::CMs 369267 Specdb::CMs 369268 Specdb::CMs 369269 Specdb::CMs 369270 Specdb::CMs 369271 Specdb::CMs 369272 Specdb::CMs 369273 Specdb::CMs 369274 Specdb::CMs 369275 Specdb::CMs 369276 Specdb::CMs 369277 Specdb::MsMs 77016 Specdb::MsMs 77017 Specdb::MsMs 77018 Specdb::MsMs 137016 Specdb::MsMs 137017 Specdb::MsMs 137018 Specdb::MsMs 2275503 Specdb::MsMs 2275504 Specdb::MsMs 2275505 Specdb::MsMs 3093010 Specdb::MsMs 3093011 Specdb::MsMs 3093012 HMDB36242 #<Reference:0x000055ce32fa8240> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic