3,9,10-Trihydroxy-2',4b,7,8-tetramethylspiro[3,5,6,8a,9,10-hexahydrophenanthrene-2,1'-cyclopropane]-1,4-dione
PubChem CID: 5316006
Connections displayed (default: 10).
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| Topological Polar Surface Area | 94.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 762.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,9,10-trihydroxy-2',4b,7,8-tetramethylspiro[3,5,6,8a,9,10-hexahydrophenanthrene-2,1'-cyclopropane]-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C20H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | URHBBLKORFXCSE-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.467 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.458 |
| Compound Name | 3,9,10-Trihydroxy-2',4b,7,8-tetramethylspiro[3,5,6,8a,9,10-hexahydrophenanthrene-2,1'-cyclopropane]-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 346.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 346.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0949226000000003 |
| Inchi | InChI=1S/C20H26O5/c1-8-5-6-19(4)12(10(8)3)15(22)14(21)11-13(19)16(23)18(25)20(17(11)24)7-9(20)2/h9,12,14-15,18,21-22,25H,5-7H2,1-4H3 |
| Smiles | CC1CC12C(C(=O)C3=C(C2=O)C(C(C4C3(CCC(=C4C)C)C)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coleus Forskahlii (Plant) Rel Props:Source_db:cmaup_ingredients