Yuexiandajisu D
PubChem CID: 102004595
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| Compound Synonyms | Yuexiandajisu D, 866556-15-2, CHEMBL3745928, FS-8046 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 652.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (4aR,6aS,7S,10aS,11R,11aR,11bR)-6a,7,11-trihydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,7,10a,11,11a-decahydronaphtho[2,1-f][1]benzofuran-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C20H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BEVHDQRDCPDJKW-HLVONWIVSA-N |
| Fcsp3 | 0.85 |
| Logs | -3.261 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.842 |
| Compound Name | Yuexiandajisu D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 350.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.228721 |
| Inchi | InChI=1S/C20H30O5/c1-10-12-14(25-17(10)23)13(21)15-19(4)8-5-7-18(2,3)11(19)6-9-20(15,24)16(12)22/h11,13-16,21-22,24H,5-9H2,1-4H3/t11-,13+,14+,15+,16+,19-,20+/m1/s1 |
| Smiles | CC1=C2[C@@H]([C@@H]([C@H]3[C@@]4(CCCC([C@H]4CC[C@]3([C@H]2O)O)(C)C)C)O)OC1=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Fischeriana (Plant) Rel Props:Source_db:cmaup_ingredients