Soyasapogenol M1
PubChem CID: 12442855
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| Compound Synonyms | Soyasapogenol M1, Oleanane -4H, + 2O, CHEBI:181755, (3beta,4beta)-Oleana-12,21-diene-3,23-diol, 4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Description | Constituent of soya bean saponin, green gram (Phaseolus radiatus), Trifolium repens (white clover) and other plants. Soyasapogenol C is found in many foods, some of which are herbs and spices, pulses, tea, and green vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 855.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 8.2 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Triterpenoids |
| Molecular Formula | C30H48O2 |
| Inchi Key | VNGUCOGHCJHFID-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | (3beta,4beta)-Oleana-12,21-diene-3,23-diol, Oleana-12,21-diene-3,23-diol, (3beta,4beta)-, Sapogenol C, Soyasapogenol C, Soyasapogenol M1, Soyasapogenol m1 |
| Compound Name | Soyasapogenol M1 |
| Kingdom | Organic compounds |
| Exact Mass | 440.365 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 440.365 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 440.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3 |
| Smiles | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C=C1)C)C)C)(C)CO)O)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all