(6S,18Z,30E,32S)-tetratriaconta-18,30-dien-2,4,12,33-tetrayne-1,6,32-triol
PubChem CID: 162870302
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| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 845.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6S,18Z,30E,32S)-tetratriaconta-18,30-dien-2,4,12,33-tetrayne-1,6,32-triol |
| Prediction Hob | 0.0 |
| Xlogp | 9.2 |
| Molecular Formula | C34H50O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QAEYNJCMUKOCQZ-OPFRPLLASA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -3.868 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.41 |
| Compound Name | (6S,18Z,30E,32S)-tetratriaconta-18,30-dien-2,4,12,33-tetrayne-1,6,32-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 506.376 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.376 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 506.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -7.379380200000003 |
| Inchi | InChI=1S/C34H50O3/c1-2-33(36)29-25-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-26-30-34(37)31-27-24-28-32-35/h1,3,5,25,29,33-37H,4,6-14,16,18-23,26,30,32H2/b5-3-,29-25+/t33-,34+/m1/s1 |
| Smiles | C#C[C@H](/C=C/CCCCCCCCCC/C=C\CCCCC#CCCCCC[C@@H](C#CC#CCO)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Pierrei (Plant) Rel Props:Source_db:cmaup_ingredients