5-hydroxy-6-[(3S)-4-hydroxy-3-methylbutanoyl]-2,2-dimethyl-10-phenylpyrano[2,3-f]chromen-8-one
PubChem CID: 162978677
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| Topological Polar Surface Area | 93.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 762.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-hydroxy-6-[(3S)-4-hydroxy-3-methylbutanoyl]-2,2-dimethyl-10-phenylpyrano[2,3-f]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C25H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZLTABHWOTHYCCO-AWEZNQCLSA-N |
| Fcsp3 | 0.28 |
| Logs | -3.645 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.451 |
| Compound Name | 5-hydroxy-6-[(3S)-4-hydroxy-3-methylbutanoyl]-2,2-dimethyl-10-phenylpyrano[2,3-f]chromen-8-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 420.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 420.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.539993683870969 |
| Inchi | InChI=1S/C25H24O6/c1-14(13-26)11-18(27)21-22(29)16-9-10-25(2,3)31-23(16)20-17(12-19(28)30-24(20)21)15-7-5-4-6-8-15/h4-10,12,14,26,29H,11,13H2,1-3H3/t14-/m0/s1 |
| Smiles | C[C@@H](CC(=O)C1=C2C(=C3C(=C1O)C=CC(O3)(C)C)C(=CC(=O)O2)C4=CC=CC=C4)CO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tinospora Crispa (Plant) Rel Props:Source_db:cmaup_ingredients