13alpha(21)-Epoxyeurycomanone
PubChem CID: 13936699
Connections displayed (default: 10).
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| Compound Synonyms | PASAKBUMIN B, 13alpha(21)-Epoxyeurycomanone, (+)-Pasakbumin B, NFA80910 |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 933.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,7,8,17-pentahydroxy-14,18-dimethylspiro[3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione |
| Prediction Hob | 1.0 |
| Xlogp | -3.2 |
| Molecular Formula | C20H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MOCOVNGOINOTNW-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.913 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.087 |
| Compound Name | 13alpha(21)-Epoxyeurycomanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 424.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4237924000000004 |
| Inchi | InChI=1S/C20H24O10/c1-7-3-9(21)11(22)16(2)8(7)4-10-17-5-29-19(26,14(16)17)15(25)18(6-28-18)20(17,27)12(23)13(24)30-10/h3,8,10-12,14-15,22-23,25-27H,4-6H2,1-2H3 |
| Smiles | CC1=CC(=O)C(C2(C1CC3C45C2C(C(C6(C4(C(C(=O)O3)O)O)CO6)O)(OC5)O)C)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eurycoma Sp (Plant) Rel Props:Source_db:cmaup_ingredients