1.0 2010-04-08 22:15:03 UTC 2019-11-26 03:19:00 UTC FDB020486 (3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] Constituent of Eriobotrya japonica (loquat). (3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] is found in fruits. (3x,5x,10x)-9,10-Didehydroisohumbertiol O-[a-L-rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] (3x,5x,10x)-9,10-Didehydroisohumbertiol O-[a-L-rhamnosyl-(1->4)-a-L-rhamnosyl-(1->2)-[a-L-rhamnosyl-(1->6)]-b-D-glucoside] (3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] C39H62O18 818.8988 818.39361518 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-({2-methyl-1-[5-methyl-2-(prop-1-en-2-yl)cyclohexa-1,5-dien-1-yl]but-3-en-2-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-({2-methyl-1-[5-methyl-2-(prop-1-en-2-yl)cyclohexa-1,5-dien-1-yl]but-3-en-2-yl}oxy)oxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol 143376-49-2 CC1OC(OCC2OC(OC(C)(CC3=C(CCC(C)=C3)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/C39H62O18/c1-9-39(8,13-20-12-16(4)10-11-21(20)15(2)3)57-38-34(28(45)25(42)22(54-38)14-50-35-30(47)26(43)23(40)17(5)51-35)56-37-32(49)29(46)33(19(7)53-37)55-36-31(48)27(44)24(41)18(6)52-36/h9,12,17-19,22-38,40-49H,1-2,10-11,13-14H2,3-8H3 BFNFFYBOJHJTBC-UHFFFAOYSA-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 Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Sesquiterpenoids Acetal Alcohol Aliphatic heteromonocyclic compound Cyclofarsesane sesquiterpenoid Glycosyl compound Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol Sesquiterpenoid logp -0.02 ALOGPS logs -2.56 ALOGPS solubility 2.26e+00 g/l ALOGPS logp -0.81 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-({2-methyl-1-[5-methyl-2-(prop-1-en-2-yl)cyclohexa-1,5-dien-1-yl]but-3-en-2-yl}oxy)oxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol ChemAxon average_mass 818.8988 ChemAxon mono_mass 818.39361518 ChemAxon smiles CC1OC(OCC2OC(OC(C)(CC3=C(CCC(C)=C3)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 C39H62O18 ChemAxon inchi InChI=1S/C39H62O18/c1-9-39(8,13-20-12-16(4)10-11-21(20)15(2)3)57-38-34(28(45)25(42)22(54-38)14-50-35-30(47)26(43)23(40)17(5)51-35)56-37-32(49)29(46)33(19(7)53-37)55-36-31(48)27(44)24(41)18(6)52-36/h9,12,17-19,22-38,40-49H,1-2,10-11,13-14H2,3-8H3 ChemAxon inchikey BFNFFYBOJHJTBC-UHFFFAOYSA-N ChemAxon polar_surface_area 276.14 ChemAxon refractivity 196.64 ChemAxon polarizability 84.29 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 18 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 319894 Specdb::MsMs 319895 Specdb::MsMs 319896 Specdb::MsMs 367141 Specdb::MsMs 367142 Specdb::MsMs 367143 Specdb::MsMs 2363894 Specdb::MsMs 2363895 Specdb::MsMs 2363896 Specdb::MsMs 2601671 Specdb::MsMs 2601672 Specdb::MsMs 2601673 Specdb::CMs 790893 Specdb::CMs 790894 Specdb::CMs 790895 Specdb::CMs 790896 Specdb::CMs 790897 Specdb::CMs 790898 Specdb::CMs 790899 Specdb::CMs 790900 Specdb::CMs 790901 Specdb::CMs 790902 Specdb::NmrOneD 42822 Specdb::NmrOneD 42823 Specdb::NmrOneD 42824 Specdb::NmrOneD 42825 Specdb::NmrOneD 42826 Specdb::NmrOneD 42827 Specdb::NmrOneD 42828 Specdb::NmrOneD 42829 Specdb::NmrOneD 42830 Specdb::NmrOneD 42831 Specdb::NmrOneD 42832 Specdb::NmrOneD 42833 Specdb::NmrOneD 42834 Specdb::NmrOneD 42835 Specdb::NmrOneD 42836 Specdb::NmrOneD 42837 Specdb::NmrOneD 42838 Specdb::NmrOneD 42839 Specdb::NmrOneD 42840 Specdb::NmrOneD 42841 HMDB40687 #<Reference:0x00007f093c1b6678> Fruits Unknown generic