1.0 2010-04-08 22:05:19 UTC 2019-11-26 02:57:18 UTC FDB002298 Loquatifolin A Constituent of Eriobotrya japonica (loquat). Loquatifolin A is found in loquat and fruits. (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->4)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] Loquatifolin A C39H66O18 822.9305 822.424915308 2-{[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol 2-{[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol 116174-69-7 CC1OC(OCC2OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C2OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+ OJGRBKZBRBHZGE-NBVRZTHBSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Sesquiterpenoids Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Farsesane sesquiterpenoid Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol Sesquiterpenoid logp 0.79 ALOGPS logs -2.67 ALOGPS solubility 1.76e+00 g/l ALOGPS melting_point Mp 128-130° logp 0.36 ChemAxon pka_strongest_acidic 11.68 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-{[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol ChemAxon average_mass 822.9305 ChemAxon mono_mass 822.424915308 ChemAxon smiles CC1OC(OCC2OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C2OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C39H66O18 ChemAxon inchi InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+ ChemAxon inchikey OJGRBKZBRBHZGE-NBVRZTHBSA-N ChemAxon polar_surface_area 276.14 ChemAxon refractivity 199.03 ChemAxon polarizability 86.53 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 18 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 63735 Specdb::MsMs 63736 Specdb::MsMs 63737 Specdb::MsMs 120729 Specdb::MsMs 120730 Specdb::MsMs 120731 Specdb::MsMs 2767553 Specdb::MsMs 2767554 Specdb::MsMs 2767555 Specdb::MsMs 2910968 Specdb::MsMs 2910969 Specdb::MsMs 2910970 Specdb::CMs 791299 Specdb::CMs 791300 Specdb::CMs 791301 Specdb::CMs 791302 Specdb::CMs 791303 Specdb::CMs 791304 Specdb::CMs 791305 Specdb::CMs 791306 Specdb::CMs 791307 Specdb::CMs 791308 HMDB30434 #<Reference:0x000055ce33127530> Fruits Unknown generic Loquat Type 1 specific Eriobotrya japonica 32224