1.0 2010-04-08 22:12:58 UTC 2019-11-26 03:14:30 UTC FDB017239 Eriojaposide B Constituent of Eriobotrya japonica (loquat). Eriojaposide B is found in fruits. (3S,7E,9R)-9-Hydroxy-4,7-megastigmadiene-3-one 9-[rhamnosyl-(1->6)-glucoside] (3S,7E,9R)-9-Hydroxy-4,7-megastigmadiene-3-one 9-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] (3S,7E,9R)-9-Hydroxy-4,7-megastigmadiene-3-one 9-O-[a-L-rhamnosyl-(1->6)-b-D-glucoside] Eriojaposide B C25H40O11 516.5785 516.257062122 3,5,5-trimethyl-4-[(1E)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl]cyclohex-2-en-1-one 3,5,5-trimethyl-4-[(1E)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl]cyclohex-2-en-1-one 351412-97-0 CC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C InChI=1S/C25H40O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h6-8,12-13,15-24,27-32H,9-10H2,1-5H3/b7-6+ AFWVBXLXFDAISA-VOTSOKGWSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Cyclohexenones Disaccharides Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Sesquiterpenoids Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Cyclic ketone Cyclofarsesane sesquiterpenoid Cyclohexenone Disaccharide Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Sesquiterpenoid logp -0.32 ALOGPS logs -2.44 ALOGPS solubility 1.89e+00 g/l ALOGPS logp -0.23 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3,5,5-trimethyl-4-[(1E)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl]cyclohex-2-en-1-one ChemAxon average_mass 516.5785 ChemAxon mono_mass 516.257062122 ChemAxon smiles CC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C ChemAxon formula C25H40O11 ChemAxon inchi InChI=1S/C25H40O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h6-8,12-13,15-24,27-32H,9-10H2,1-5H3/b7-6+ ChemAxon inchikey AFWVBXLXFDAISA-VOTSOKGWSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 126.99 ChemAxon polarizability 54.13 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18749 Specdb::CMs 45649 Specdb::NmrOneD 24542 Specdb::NmrOneD 24543 Specdb::NmrOneD 24544 Specdb::NmrOneD 24545 Specdb::NmrOneD 24546 Specdb::NmrOneD 24547 Specdb::NmrOneD 24548 Specdb::NmrOneD 24549 Specdb::NmrOneD 24550 Specdb::NmrOneD 24551 Specdb::NmrOneD 24552 Specdb::NmrOneD 24553 Specdb::NmrOneD 24554 Specdb::NmrOneD 24555 Specdb::NmrOneD 24556 Specdb::NmrOneD 24557 Specdb::NmrOneD 24558 Specdb::NmrOneD 24559 Specdb::NmrOneD 24560 Specdb::NmrOneD 24561 Specdb::MsMs 56112 Specdb::MsMs 56113 Specdb::MsMs 56114 Specdb::MsMs 111459 Specdb::MsMs 111460 Specdb::MsMs 111461 Specdb::MsMs 2335132 Specdb::MsMs 2335133 Specdb::MsMs 2335134 Specdb::MsMs 2626598 Specdb::MsMs 2626599 Specdb::MsMs 2626600 HMDB38029 #<Reference:0x000055ce32739938> Fruits Unknown generic