Hentriaconta-17,27-dien-2,4,6,30-tetrayne-1,8,29-triol
PubChem CID: 5549
Connections displayed (default: 10).
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| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 799.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hentriaconta-17,27-dien-2,4,6,30-tetrayne-1,8,29-triol |
| Prediction Hob | 0.0 |
| Xlogp | 8.0 |
| Molecular Formula | C31H44O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RYOORYDDTFATPC-UHFFFAOYSA-N |
| Fcsp3 | 0.6129032258064516 |
| Logs | -4.78 |
| Rotatable Bond Count | 21.0 |
| Logd | 3.911 |
| Compound Name | Hentriaconta-17,27-dien-2,4,6,30-tetrayne-1,8,29-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 464.329 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 464.329 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 464.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -6.538578000000003 |
| Inchi | InChI=1S/C31H44O3/c1-2-30(33)26-22-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-23-27-31(34)28-24-20-17-21-25-29-32/h1,4,6,22,26,30-34H,3,5,7-16,18-19,23,27,29H2 |
| Smiles | C#CC(C=CCCCCCCCCC=CCCCCCCCCC(C#CC#CC#CCO)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oldenlandia Diffusa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:cmaup_ingredients