Digin
PubChem CID: 287688
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| Compound Synonyms | Spirostan-2,3-diol, Digin, Markogenin, 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol, 562-35-6, (25R)-5.alpha.-Spirostan-2.alpha.,3.beta.-diol, 5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-15,16-diol, Spirostan-2,3-diol #, 5.alpha.-Spirostan-2.alpha.,3.beta.-diol, (25R)-, Spirostan-2,3-diol, (2.alpha.,3.beta.,5.alpha.,25R)-, NSC147752, AKOS037514677, 5.alpha.-Spirostan-2.alpha., (25R)-, Spirostan-2, (2.alpha.,3.beta.,5.alpha.,25R)-, 5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]icosane]-15',16'-diol |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Description | Gitogenin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Gitogenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gitogenin can be found in fenugreek, which makes gitogenin a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 726.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 5.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Triterpenoids |
| Molecular Formula | C27H44O4 |
| Inchi Key | FWCXELAAYFYCSR-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | Neogitogenin, Yonogenin, (25R)-5&alpha, -Spirostan-2&alpha, ,3&alpha, ,3&alpha, ,25R)-, 5&alpha, -Spirostan-2&alpha, ,3&beta, -diol, (25R)-, Digine, Gitogenin |
| Compound Name | Digin |
| Kingdom | Organic compounds |
| Exact Mass | 432.324 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 432.324 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 432.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 13.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3 |
| Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all