1.0 2010-04-08 22:15:11 UTC 2019-11-26 03:19:16 UTC FDB020669 (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] Constituent of Eriobotrya japonica (loquat). (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] is found in loquat and fruits. C27H46O10 530.6481 530.309097692 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 130466-30-7 CC1OC(OC2C(O)C(O)C(CO)OC2OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C1O InChI=1S/C27H46O10/c1-7-27(6,13-9-12-16(4)11-8-10-15(2)3)37-26-24(22(32)20(30)18(14-28)35-26)36-25-23(33)21(31)19(29)17(5)34-25/h7,10,12,17-26,28-33H,1,8-9,11,13-14H2,2-6H3/b16-12+ ATWXTQLIHDYQCP-FOWTUZBSSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Disaccharide Farsesane sesquiterpenoid Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid logp 1.53 ALOGPS logs -2.81 ALOGPS solubility 8.22e-01 g/l ALOGPS logp 1.81 ChemAxon pka_strongest_acidic 12.1 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol ChemAxon average_mass 530.6481 ChemAxon mono_mass 530.309097692 ChemAxon smiles CC1OC(OC2C(O)C(O)C(CO)OC2OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C1O ChemAxon formula C27H46O10 ChemAxon inchi InChI=1S/C27H46O10/c1-7-27(6,13-9-12-16(4)11-8-10-15(2)3)37-26-24(22(32)20(30)18(14-28)35-26)36-25-23(33)21(31)19(29)17(5)34-25/h7,10,12,17-26,28-33H,1,8-9,11,13-14H2,2-6H3/b16-12+ ChemAxon inchikey ATWXTQLIHDYQCP-FOWTUZBSSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 137.29 ChemAxon polarizability 58.03 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 316600 Specdb::MsMs 316601 Specdb::MsMs 316602 Specdb::MsMs 362914 Specdb::MsMs 362915 Specdb::MsMs 362916 Specdb::MsMs 2342064 Specdb::MsMs 2342065 Specdb::MsMs 2342066 Specdb::MsMs 2593324 Specdb::MsMs 2593325 Specdb::MsMs 2593326 Specdb::CMs 22798 Specdb::CMs 46995 Specdb::CMs 200197 Specdb::CMs 200199 Specdb::CMs 200201 Specdb::CMs 200204 Specdb::CMs 200206 Specdb::CMs 200208 Specdb::CMs 200210 Specdb::CMs 200213 Specdb::CMs 200215 Specdb::CMs 200217 Specdb::CMs 200219 Specdb::CMs 200221 Specdb::CMs 200223 Specdb::CMs 200225 Specdb::CMs 200227 Specdb::CMs 200229 Specdb::CMs 200231 Specdb::CMs 200233 Specdb::CMs 200235 Specdb::CMs 200237 Specdb::CMs 200239 Specdb::CMs 200241 Specdb::CMs 200244 HMDB40844 #<Reference:0x00007f093c0322e8> Fruits Unknown generic Loquat Type 1 specific Eriobotrya japonica 32224