8-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9,11-trihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one
PubChem CID: 101361831
Connections displayed (default: 10).
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| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 853.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9,11-trihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one |
| Prediction Hob | 1.0 |
| Xlogp | 7.2 |
| Molecular Formula | C28H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GOLPEIAEOMFCOY-SXGWCWSVSA-N |
| Fcsp3 | 0.3214285714285714 |
| Logs | -0.279 |
| Rotatable Bond Count | 5.0 |
| Logd | 6.918 |
| Compound Name | 8-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9,11-trihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 462.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 462.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 462.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.533466282352943 |
| Inchi | InChI=1S/C28H30O6/c1-15(2)7-6-8-16(3)9-10-17-19(29)13-20(30)24-25(32)23-18-11-12-28(4,5)34-26(18)21(31)14-22(23)33-27(17)24/h7,9,11-14,29-31H,6,8,10H2,1-5H3/b16-9- |
| Smiles | CC(=CCC/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C=C(C4=C3C=CC(O4)(C)C)O)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Virgata (Plant) Rel Props:Source_db:cmaup_ingredients