1.0 2010-04-08 22:13:37 UTC 2015-07-21 06:26:42 UTC FDB018287 Cycasin Alkaloid from seeds of the false sago Cycas circinalis and sago cycas Cycas revoluta (Cycadaceae). Carcinogen of significance in human nutrition; but in practice the toxin is present in the seeds of the plant and the pith is used as a food source (2-hydroxy-2-methyl-2β-D-glucosyloxyazoxymethane (2-Hydroxy-2-methyl-2beta -D-glucosyloxyazoxymethane β-d-glucopyranoside, (methyl-onn-azoxy)methyl b-D-Glucosyloxyazoxymethane beta -D-Glucopyranoside, (methyl-ONN-azoxy)methyl Cycas revoluta glucoside Cycasin Cykazine Methylazoxymethanol β-d-glucoside Methylazoxymethanol beta -D-glucoside Methylazoxymethanol glucoside Methylazoxymethanolβ-d-glucoside Methylazoxymethanolbeta -D-glucoside C8H16N2O7 252.2218 252.095750876 2-(hydroxymethyl)-6-{[(methyl-oxo-λ⁵-azanylidene)amino]methoxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{[(methyl-oxo-λ⁵-azanylidene)amino]methoxy}oxane-3,4,5-triol 14901-08-7 CN(=O)=NCOC1OC(CO)C(O)C(O)C1O InChI=1S/C8H16N2O7/c1-10(15)9-3-16-8-7(14)6(13)5(12)4(2-11)17-8/h4-8,11-14H,2-3H2,1H3/b10-9- YHLRMABUJXBLCK-KTKRTIGZSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Azoxy compounds Hexoses Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Azoxy compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organic salt Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol a small molecule logp -2.55 ALOGPS logs -0.65 ALOGPS solubility 5.66e+01 g/l ALOGPS melting_point Mp 154 dec. (144-145° dec.) logp -3.2 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic 4.16 ChemAxon iupac 2-(hydroxymethyl)-6-{[(methyl-oxo-λ⁵-azanylidene)amino]methoxy}oxane-3,4,5-triol ChemAxon average_mass 252.2218 ChemAxon mono_mass 252.095750876 ChemAxon smiles CN(=O)=NCOC1OC(CO)C(O)C(O)C1O ChemAxon formula C8H16N2O7 ChemAxon inchi InChI=1S/C8H16N2O7/c1-10(15)9-3-16-8-7(14)6(13)5(12)4(2-11)17-8/h4-8,11-14H,2-3H2,1H3/b10-9- ChemAxon inchikey YHLRMABUJXBLCK-KTKRTIGZSA-N ChemAxon polar_surface_area 140.49 ChemAxon refractivity 52.05 ChemAxon polarizability 23.39 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19107 Specdb::CMs 46099 Specdb::CMs 163690 Specdb::NmrOneD 29542 Specdb::NmrOneD 29543 Specdb::NmrOneD 29544 Specdb::NmrOneD 29545 Specdb::NmrOneD 29546 Specdb::NmrOneD 29547 Specdb::NmrOneD 29548 Specdb::NmrOneD 29549 Specdb::NmrOneD 29550 Specdb::NmrOneD 29551 Specdb::NmrOneD 29552 Specdb::NmrOneD 29553 Specdb::NmrOneD 29554 Specdb::NmrOneD 29555 Specdb::NmrOneD 29556 Specdb::NmrOneD 29557 Specdb::NmrOneD 29558 Specdb::NmrOneD 29559 Specdb::NmrOneD 29560 Specdb::NmrOneD 29561 Specdb::MsMs 75846 Specdb::MsMs 75847 Specdb::MsMs 75848 Specdb::MsMs 135558 Specdb::MsMs 135559 Specdb::MsMs 135560 Specdb::MsMs 3048662 Specdb::MsMs 3048663 Specdb::MsMs 3048664 Specdb::MsMs 3118411 Specdb::MsMs 3118412 Specdb::MsMs 3118413 HMDB38850 17074 #<Reference:0x000055ce2d03d9e0>