1.0 2010-04-08 22:04:51 UTC 2020-02-24 19:10:19 UTC FDB001146 Lucuminoside Isolated from marmalade plum (Lucuma mammosa) seeds. Lucuminoside is found in fruits and mamey sapote. Lucumin Lucumine Lucuminoside Vicianin C19H25NO10 427.4025 427.147846025 2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetonitrile vicianin 1392-28-5 OC1COC(OCC2OC(OC(C#N)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2 YYYCJNDALLBNEG-UHFFFAOYSA-N belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group. Cyanogenic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Benzene and substituted derivatives Disaccharides Hydrocarbon derivatives Nitriles O-glycosyl compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Carbonitrile Cyanogenic glycoside Disaccharide Hydrocarbon derivative Monocyclic benzene moiety Nitrile O-glycosyl compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Secondary alcohol a small molecule logp -1.10 ALOGPS logs -1.08 ALOGPS solubility 3.52e+01 g/l ALOGPS melting_point Mp 184-185° logp -2 ChemAxon pka_strongest_acidic 11.93 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetonitrile ChemAxon average_mass 427.4025 ChemAxon mono_mass 427.147846025 ChemAxon smiles OC1COC(OCC2OC(OC(C#N)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O ChemAxon formula C19H25NO10 ChemAxon inchi InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2 ChemAxon inchikey YYYCJNDALLBNEG-UHFFFAOYSA-N ChemAxon polar_surface_area 182.09 ChemAxon refractivity 96.55 ChemAxon polarizability 42.12 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 58878 Specdb::MsMs 58879 Specdb::MsMs 58880 Specdb::MsMs 114903 Specdb::MsMs 114904 Specdb::MsMs 114905 Specdb::MsMs 2439772 Specdb::MsMs 2439773 Specdb::MsMs 2439774 Specdb::MsMs 2522877 Specdb::MsMs 2522878 Specdb::MsMs 2522879 Specdb::CMs 21473 Specdb::CMs 41623 Specdb::CMs 154369 Specdb::CMs 168899 Specdb::CMs 279983 Specdb::NmrOneD 110278 Specdb::NmrOneD 110279 Specdb::NmrOneD 110280 Specdb::NmrOneD 110281 Specdb::NmrOneD 110282 Specdb::NmrOneD 110283 Specdb::NmrOneD 110284 Specdb::NmrOneD 110285 Specdb::NmrOneD 110286 Specdb::NmrOneD 110287 Specdb::NmrOneD 110288 Specdb::NmrOneD 110289 Specdb::NmrOneD 110290 Specdb::NmrOneD 110291 Specdb::NmrOneD 110292 Specdb::NmrOneD 110293 Specdb::NmrOneD 110294 Specdb::NmrOneD 110295 Specdb::NmrOneD 110296 Specdb::NmrOneD 110297 HMDB29900 6559 Fruits Unknown generic Mamey sapote Type 1 specific Pouteria sapota 233744