Peltogynan-4-alpha-ol
PubChem CID: 12314038
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| Compound Synonyms | Peltogynan-4-alpha-ol, (6aS,7R,12aR)-5,6a,7,12a-tetrahydroisochromeno(4,3-b)chromene-2,3,7,10-tetrol, (6aS,7R,12aR)-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-2,3,7,10-tetrol, LMPK12020221, 14894-93-0 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (6aS,7R,12aR)-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-2,3,7,10-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OPWUVOPHCMWWGJ-OAGGEKHMSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.472 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.483 |
| Compound Name | Peltogynan-4-alpha-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6028847636363635 |
| Inchi | InChI=1S/C16H14O6/c17-8-1-2-9-13(4-8)22-15-10-5-12(19)11(18)3-7(10)6-21-16(15)14(9)20/h1-5,14-20H,6H2/t14-,15-,16+/m1/s1 |
| Smiles | C1C2=CC(=C(C=C2[C@@H]3[C@@H](O1)[C@@H](C4=C(O3)C=C(C=C4)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Millettia Stuhlmannii (Plant) Rel Props:Source_db:cmaup_ingredients