1.0 2010-04-08 22:04:47 UTC 2019-11-26 02:55:42 UTC FDB000975 Isofucosterol glucoside Constituent of Lycopersicon esculentum (tomato). Isofucosterol glucoside is found in garden tomato. Isofucosterol glucoside C35H58O6 574.8314 574.423339588 2-({2,15-dimethyl-14-[(5E)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-(hydroxymethyl)-6-({14-[(5E)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl}oxy)oxane-3,4,5-triol 87678-84-0 C\C=C(/CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h7,10,20-21,24-33,36-39H,8-9,11-19H2,1-6H3/b22-7+ FHEBKVQDISXEGI-QPJQQBGISA-N belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Stigmastanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Aliphatic heteropolycyclic compounds Acetals C24-propyl sterols and derivatives Delta-5-steroids Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound C24-propyl-sterol-skeleton Delta-5-steroid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal glycoside Stigmastane-skeleton Triterpenoid logp 5.74 ALOGPS logs -5.22 ALOGPS solubility 3.47e-03 g/l ALOGPS melting_point Mp 266-268° logp 5.67 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-({2,15-dimethyl-14-[(5E)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 574.8314 ChemAxon mono_mass 574.423339588 ChemAxon smiles C\C=C(/CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C ChemAxon formula C35H58O6 ChemAxon inchi InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h7,10,20-21,24-33,36-39H,8-9,11-19H2,1-6H3/b22-7+ ChemAxon inchikey FHEBKVQDISXEGI-QPJQQBGISA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 163.03 ChemAxon polarizability 68.49 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105099 Specdb::MsMs 105100 Specdb::MsMs 105101 Specdb::MsMs 171525 Specdb::MsMs 171526 Specdb::MsMs 171527 Specdb::MsMs 2694306 Specdb::MsMs 2694307 Specdb::MsMs 2694308 Specdb::MsMs 2987088 Specdb::MsMs 2987089 Specdb::MsMs 2987090 Specdb::CMs 15261 Specdb::CMs 41534 Specdb::CMs 282416 Specdb::CMs 373257 Specdb::CMs 373258 Specdb::CMs 373259 Specdb::CMs 373260 Specdb::CMs 373261 Specdb::CMs 373262 Specdb::CMs 373263 Specdb::CMs 373264 Specdb::CMs 373265 Specdb::CMs 373266 Specdb::CMs 373267 Specdb::CMs 373268 Specdb::CMs 373269 Specdb::CMs 373270 Specdb::CMs 373271 Specdb::CMs 373272 Specdb::CMs 373273 Specdb::CMs 373274 Specdb::CMs 373275 Specdb::CMs 373276 Specdb::CMs 373277 Specdb::CMs 373278 HMDB29768 #<Reference:0x000055ce323ca270> Garden tomato Type 1 specific Solanum lycopersicum 4081