1.0 2010-04-08 22:15:11 UTC 2019-11-26 03:19:17 UTC FDB020672 (S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] Constituent of Eriobotrya japonica (loquat). (S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] is found in fruits. C39H66O18 822.9305 822.424915308 2-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-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-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol 130466-32-9 CC1OC(OCC2OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)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)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+ RTDSIIMUYUALQO-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 0.81 ALOGPS logs -2.69 ALOGPS solubility 1.69e+00 g/l ALOGPS logp 0.36 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-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(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)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)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)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 RTDSIIMUYUALQO-NBVRZTHBSA-N ChemAxon polar_surface_area 276.14 ChemAxon refractivity 199.03 ChemAxon polarizability 86.03 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 18 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 302386 Specdb::MsMs 302387 Specdb::MsMs 302388 Specdb::MsMs 345103 Specdb::MsMs 345104 Specdb::MsMs 345105 Specdb::MsMs 2684328 Specdb::MsMs 2684329 Specdb::MsMs 2684330 Specdb::MsMs 3024039 Specdb::MsMs 3024040 Specdb::MsMs 3024041 Specdb::CMs 791309 Specdb::CMs 791310 Specdb::CMs 791311 Specdb::CMs 791312 Specdb::CMs 791313 Specdb::CMs 791314 Specdb::CMs 791315 Specdb::CMs 791316 Specdb::CMs 791317 Specdb::CMs 791318 HMDB40847 #<Reference:0x000055ce300d9ab8> Fruits Unknown generic