4,8,9-Trihydroxy-2-(2-hydroxypropan-2-yl)-11-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
PubChem CID: 10716607
Connections displayed (default: 10).
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| Topological Polar Surface Area | 116.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 704.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8,9-trihydroxy-2-(2-hydroxypropan-2-yl)-11-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-b]xanthen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C23H24O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YWCIWVYWWAGGTH-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -3.526 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.413 |
| Compound Name | 4,8,9-Trihydroxy-2-(2-hydroxypropan-2-yl)-11-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-b]xanthen-5-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 412.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 412.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 412.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.656648933333334 |
| Inchi | InChI=1S/C23H24O7/c1-6-22(2,3)15-19-11(9-13(29-19)23(4,5)28)17(26)14-16(25)10-7-8-12(24)18(27)20(10)30-21(14)15/h6-8,13,24,26-28H,1,9H2,2-5H3 |
| Smiles | CC(C)(C=C)C1=C2C(=C(C3=C1OC4=C(C3=O)C=CC(=C4O)O)O)CC(O2)C(C)(C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Maclura Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients