6,11,18-Trihydroxy-8,8-dimethyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-2-one
PubChem CID: 5320872
Connections displayed (default: 10).
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | ZIZNOOONNJWTKQ-UHFFFAOYSA-N |
| Fcsp3 | 0.85 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Compound Name | 6,11,18-Trihydroxy-8,8-dimethyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.189 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 688.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 364.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,11,18-trihydroxy-8,8-dimethyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-2-one |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.918515600000001 |
| Inchi | InChI=1S/C20H28O6/c1-9-10-4-5-11-19(8-10,14(9)22)16(24)26-17-20(11)12(21)6-7-18(2,3)13(20)15(23)25-17/h10-15,17,21-23H,1,4-8H2,2-3H3 |
| Smiles | CC1(CCC(C23C1C(OC2OC(=O)C45C3CCC(C4)C(=C)C5O)O)O)C |
| Xlogp | 1.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H28O6 |
- 1. Outgoing r'ship
FOUND_INto/from Rabdosia Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients