1.0 2010-04-08 22:15:11 UTC 2019-11-26 03:19:17 UTC FDB020671 (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->4)-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->6)-b-D-glucopyranoside] is found in loquat and fruits. C33H56O14 676.7893 676.3670065 2-({4,5-dihydroxy-2-methyl-6-[(3,4,5-trihydroxy-6-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-2-yl)methoxy]oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol 2-({4,5-dihydroxy-2-methyl-6-[(3,4,5-trihydroxy-6-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-2-yl)methoxy]oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol 130466-33-0 CC1OC(OC2C(C)OC(OCC3OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-27(40)24(37)22(35)20(45-32)15-42-30-28(41)25(38)29(19(6)44-30)46-31-26(39)23(36)21(34)18(5)43-31/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+ HIAIQDVRFUXFLS-GHRIWEEISA-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 1.19 ALOGPS logs -2.91 ALOGPS solubility 8.25e-01 g/l ALOGPS logp 1.09 ChemAxon pka_strongest_acidic 11.76 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-({4,5-dihydroxy-2-methyl-6-[(3,4,5-trihydroxy-6-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-2-yl)methoxy]oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol ChemAxon average_mass 676.7893 ChemAxon mono_mass 676.3670065 ChemAxon smiles CC1OC(OC2C(C)OC(OCC3OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C33H56O14 ChemAxon inchi InChI=1S/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-27(40)24(37)22(35)20(45-32)15-42-30-28(41)25(38)29(19(6)44-30)46-31-26(39)23(36)21(34)18(5)43-31/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+ ChemAxon inchikey HIAIQDVRFUXFLS-GHRIWEEISA-N ChemAxon polar_surface_area 217.22 ChemAxon refractivity 168.16 ChemAxon polarizability 73.31 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 312151 Specdb::MsMs 312152 Specdb::MsMs 312153 Specdb::MsMs 357331 Specdb::MsMs 357332 Specdb::MsMs 357333 Specdb::MsMs 2407979 Specdb::MsMs 2407980 Specdb::MsMs 2407981 Specdb::MsMs 2531541 Specdb::MsMs 2531542 Specdb::MsMs 2531543 Specdb::CMs 20723 Specdb::CMs 719935 Specdb::CMs 719936 Specdb::CMs 719937 Specdb::CMs 719938 Specdb::CMs 719939 Specdb::CMs 719940 Specdb::CMs 719941 Specdb::CMs 719942 Specdb::CMs 719943 Specdb::CMs 719944 Specdb::CMs 719945 Specdb::CMs 719946 Specdb::CMs 719947 Specdb::CMs 719948 Specdb::CMs 719949 Specdb::CMs 719950 Specdb::CMs 719951 Specdb::CMs 719952 Specdb::CMs 719953 Specdb::CMs 719954 Specdb::CMs 719955 Specdb::CMs 719956 Specdb::CMs 719957 Specdb::CMs 719958 HMDB40846 #<Reference:0x000055ce31e664f0> Fruits Unknown generic Loquat Type 1 specific Eriobotrya japonica 32224