1.0 2010-04-08 22:15:11 UTC 2019-11-26 03:19:17 UTC FDB020670 (S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] Constituent of Eriobotrya japonica (loquat). (S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] is found in loquat and fruits. C33H56O14 676.7893 676.3670065 2-[(6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-6-methyloxane-3,4,5-triol 2-[(6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-6-methyloxane-3,4,5-triol CC1OC(OC2C(C)OC(OC3C(O)C(O)C(CO)OC3OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)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)47-32-29(24(38)22(36)20(15-34)44-32)46-31-27(41)25(39)28(19(6)43-31)45-30-26(40)23(37)21(35)18(5)42-30/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+ NLQYAUOYHNMEPR-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 Primary alcohols 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 Primary alcohol Secondary alcohol Sesquiterpenoid logp 1.21 ALOGPS logs -2.85 ALOGPS solubility 9.51e-01 g/l ALOGPS logp 1.09 ChemAxon pka_strongest_acidic 11.88 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[(6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-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(OC3C(O)C(O)C(CO)OC3OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)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)47-32-29(24(38)22(36)20(15-34)44-32)46-31-27(41)25(39)28(19(6)43-31)45-30-26(40)23(37)21(35)18(5)42-30/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+ ChemAxon inchikey NLQYAUOYHNMEPR-GHRIWEEISA-N ChemAxon polar_surface_area 217.22 ChemAxon refractivity 168.16 ChemAxon polarizability 71.39 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24555 Specdb::CMs 719835 Specdb::CMs 719836 Specdb::CMs 719837 Specdb::CMs 719838 Specdb::CMs 719839 Specdb::CMs 719840 Specdb::CMs 719841 Specdb::CMs 719842 Specdb::CMs 719843 Specdb::CMs 719844 Specdb::CMs 719845 Specdb::CMs 719846 Specdb::CMs 719847 Specdb::CMs 719848 Specdb::CMs 719849 Specdb::CMs 719850 Specdb::CMs 719851 Specdb::CMs 719852 Specdb::CMs 719853 Specdb::CMs 719854 Specdb::CMs 719855 Specdb::CMs 719856 Specdb::CMs 719857 Specdb::CMs 719858 Specdb::MsMs 320329 Specdb::MsMs 320330 Specdb::MsMs 320331 Specdb::MsMs 367684 Specdb::MsMs 367685 Specdb::MsMs 367686 Specdb::MsMs 2834142 Specdb::MsMs 2834143 Specdb::MsMs 2834144 Specdb::MsMs 2871707 Specdb::MsMs 2871708 Specdb::MsMs 2871709 HMDB40845 #<Reference:0x00007f093c013898> Fruits Unknown generic Loquat Type 1 specific Eriobotrya japonica 32224