1.0 2010-04-08 22:10:46 UTC 2019-11-26 03:08:33 UTC FDB013529 Cappariloside A Constituent of the fruit of Capparis spinosa (caper). Cappariloside A is found in capers and herbs and spices. (-)-Cappariloside A Cappariloside A C16H18N2O6 334.3239 334.116486318 2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetonitrile 2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetonitrile 229483-41-4 OCC1OC(OC2=CC=CC3=C2C(CC#N)=CN3)C(O)C(O)C1O InChI=1S/C16H18N2O6/c17-5-4-8-6-18-9-2-1-3-10(12(8)9)23-16-15(22)14(21)13(20)11(7-19)24-16/h1-3,6,11,13-16,18-22H,4,7H2 ZVFUTZQNUQUJLW-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 3-alkylindoles Acetals Azacyclic compounds Benzenoids Heteroaromatic compounds Hexoses Hydrocarbon derivatives Nitriles O-glycosyl compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Substituted pyrroles 3-alkylindole Acetal Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonitrile Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Indole Indole or derivatives Monosaccharide Nitrile O-glycosyl compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Pyrrole Secondary alcohol Substituted pyrrole logp 0.29 ALOGPS logs -1.84 ALOGPS solubility 4.78e+00 g/l ALOGPS logp -0.8 ChemAxon pka_strongest_acidic 12.19 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetonitrile ChemAxon average_mass 334.3239 ChemAxon mono_mass 334.116486318 ChemAxon smiles OCC1OC(OC2=CC=CC3=C2C(CC#N)=CN3)C(O)C(O)C1O ChemAxon formula C16H18N2O6 ChemAxon inchi InChI=1S/C16H18N2O6/c17-5-4-8-6-18-9-2-1-3-10(12(8)9)23-16-15(22)14(21)13(20)11(7-19)24-16/h1-3,6,11,13-16,18-22H,4,7H2 ChemAxon inchikey ZVFUTZQNUQUJLW-UHFFFAOYSA-N ChemAxon polar_surface_area 138.96 ChemAxon refractivity 81.56 ChemAxon polarizability 32.54 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18916 Specdb::CMs 44097 Specdb::CMs 156727 Specdb::MsMs 8135 Specdb::MsMs 8136 Specdb::MsMs 8137 Specdb::MsMs 14807 Specdb::MsMs 14808 Specdb::MsMs 14809 Specdb::MsMs 2443630 Specdb::MsMs 2443631 Specdb::MsMs 2443632 Specdb::MsMs 2521926 Specdb::MsMs 2521927 Specdb::MsMs 2521928 Specdb::NmrOneD 128488 Specdb::NmrOneD 128489 Specdb::NmrOneD 128490 Specdb::NmrOneD 128491 Specdb::NmrOneD 128492 Specdb::NmrOneD 128493 Specdb::NmrOneD 128494 Specdb::NmrOneD 128495 Specdb::NmrOneD 128496 Specdb::NmrOneD 128497 Specdb::NmrOneD 128498 Specdb::NmrOneD 128499 Specdb::NmrOneD 128500 Specdb::NmrOneD 128501 Specdb::NmrOneD 128502 Specdb::NmrOneD 128503 Specdb::NmrOneD 128504 Specdb::NmrOneD 128505 Specdb::NmrOneD 128506 Specdb::NmrOneD 128507 HMDB34937 #<Reference:0x000055ce3204e948> Capers Type 1 specific Capparis spinosa 65558 Herbs and Spices Unknown generic