1.0 2010-04-08 22:14:19 UTC 2019-11-26 03:17:27 UTC FDB019396 Kenposide B Constituent of Hovenia dulcis (raisin tree). Kenposide B is found in fruits. Kenposide B Lavandulyl 1-O-arabinopyranosyl-1-6-glucopyranoside C21H36O10 448.5045 448.230847372 2-{[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol 2-{[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol CC(C)=CCC(COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C(C)=C InChI=1S/C21H36O10/c1-10(2)5-6-12(11(3)4)7-28-21-19(27)17(25)16(24)14(31-21)9-30-20-18(26)15(23)13(22)8-29-20/h5,12-27H,3,6-9H2,1-2,4H3 XOSSHORSTHFGFX-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monocyclic monoterpenoids O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Monocyclic monoterpenoid Monoterpenoid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Terpene glycoside logp -0.56 ALOGPS logs -1.81 ALOGPS solubility 6.94e+00 g/l ALOGPS logp -0.59 ChemAxon pka_strongest_acidic 11.93 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-{[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol ChemAxon average_mass 448.5045 ChemAxon mono_mass 448.230847372 ChemAxon smiles CC(C)=CCC(COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C(C)=C ChemAxon formula C21H36O10 ChemAxon inchi InChI=1S/C21H36O10/c1-10(2)5-6-12(11(3)4)7-28-21-19(27)17(25)16(24)14(31-21)9-30-20-18(26)15(23)13(22)8-29-20/h5,12-27H,3,6-9H2,1-2,4H3 ChemAxon inchikey XOSSHORSTHFGFX-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 109 ChemAxon polarizability 47.91 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21255 Specdb::CMs 46556 Specdb::CMs 156507 Specdb::MsMs 83970 Specdb::MsMs 83971 Specdb::MsMs 83972 Specdb::MsMs 145704 Specdb::MsMs 145705 Specdb::MsMs 145706 Specdb::MsMs 2794910 Specdb::MsMs 2794911 Specdb::MsMs 2794912 Specdb::MsMs 2884640 Specdb::MsMs 2884641 Specdb::MsMs 2884642 Specdb::NmrOneD 35742 Specdb::NmrOneD 35743 Specdb::NmrOneD 35744 Specdb::NmrOneD 35745 Specdb::NmrOneD 35746 Specdb::NmrOneD 35747 Specdb::NmrOneD 35748 Specdb::NmrOneD 35749 Specdb::NmrOneD 35750 Specdb::NmrOneD 35751 Specdb::NmrOneD 35752 Specdb::NmrOneD 35753 Specdb::NmrOneD 35754 Specdb::NmrOneD 35755 Specdb::NmrOneD 35756 Specdb::NmrOneD 35757 Specdb::NmrOneD 35758 Specdb::NmrOneD 35759 Specdb::NmrOneD 35760 Specdb::NmrOneD 35761 HMDB39749 #<Reference:0x000055ce317c48e0> Fruits Unknown generic