4,7-Dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
PubChem CID: 101763994
Connections displayed (default: 10).
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| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 668.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C23H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PMCGDAQXOZHJMW-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -2.957 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.799 |
| Compound Name | 4,7-Dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 396.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.783563179310345 |
| Inchi | InChI=1S/C23H24O6/c1-11(2)5-7-13-21-15(10-17(29-21)23(3,4)27)20(26)18-19(25)14-9-12(24)6-8-16(14)28-22(13)18/h5-6,8-9,17,24,26-27H,7,10H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C=C(C=C4)O)O)CC(O2)C(C)(C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Mangostana (Plant) Rel Props:Source_db:cmaup_ingredients