9-[[(4R)-5,5-dimethyl-2-oxo-1,3-dioxolan-4-yl]methoxy]-4-methoxyfuro[3,2-g]chromen-7-one
PubChem CID: 100932293
Connections displayed (default: 10).
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| Topological Polar Surface Area | 93.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 614.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 9-[[(4R)-5,5-dimethyl-2-oxo-1,3-dioxolan-4-yl]methoxy]-4-methoxyfuro[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AUIKCQMXBIJVEL-LLVKDONJSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.158 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.421 |
| Compound Name | 9-[[(4R)-5,5-dimethyl-2-oxo-1,3-dioxolan-4-yl]methoxy]-4-methoxyfuro[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 360.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 360.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.011571600000001 |
| Inchi | InChI=1S/C18H16O8/c1-18(2)11(24-17(20)26-18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)25-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1 |
| Smiles | CC1([C@H](OC(=O)O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Japonica (Plant) Rel Props:Source_db:cmaup_ingredients