Methylazoxymethanol glucoside
PubChem CID: 9572792
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| Compound Synonyms | CYCASIN, Cycas revoluta glucoside, Methylazoxymethanol glucoside, 14901-08-7, [(Methyl-ONN-azoxy)methyl]-.beta.-D-glucopyranoside, .beta.-D-Glucopyranoside, (methyl-ONN-azoxy)methyl, .beta.-D-glucosyloxyazoxymethane, NSC15190, Methylazoxymethanol.beta.-D-glucoside, Methylazoxymethanol .beta.-D-glucoside, WLN: T6OTJ BO1NUNO&1 CQ DQ EQ F1Q GLUCO, .beta.-D-Glucopyranoside, [(methyl-ONN-azoxy)methyl]- |
|---|---|
| Topological Polar Surface Area | 140.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 17.0 |
| Description | 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 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-methyl-oxido-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylimino]azanium |
| Prediction Hob | 1.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -2.6 |
| Superclass | Organooxygen compounds |
| Subclass | Glycosyl compounds |
| Molecular Formula | C8H16N2O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YHLRMABUJXBLCK-KTKRTIGZSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.039 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.945 |
| Synonyms | (2-hydroxy-2-methyl-2&beta, -D-glucosyloxyazoxymethane, (2-Hydroxy-2-methyl-2beta -D-glucosyloxyazoxymethane, &beta, -d-glucopyranoside, (methyl-onn-azoxy)methyl, b-D-Glucosyloxyazoxymethane, beta -D-Glucopyranoside, (methyl-ONN-azoxy)methyl, Cycas revoluta glucoside, Cycasin, Cykazine, Methylazoxymethanol &beta, -d-glucoside, Methylazoxymethanol beta -D-glucoside, Methylazoxymethanol glucoside, Methylazoxymethanol&beta, -d-glucoside, Methylazoxymethanolbeta -D-glucoside |
| Substituent Name | O-glycosyl compound, Oxane, Monosaccharide, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organonitrogen compound, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | Methylazoxymethanol glucoside |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.096 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 252.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | 0.47301740000000003 |
| 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- |
| Smiles | C/[N+](=N/COC1C(C(C(C(O1)CO)O)O)O)/[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ajuga Chamaepitys (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ajuga Decumbens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ajuga Reptans (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cyathula Capitata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cycas Circinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Cycas Revoluta (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Trillium Camtschaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Trillium Tschonoskii (Plant) Rel Props:Source_db:cmaup_ingredients