Chamaejasmenin B
PubChem CID: 21676273
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| Compound Synonyms | Chamaejasmenin B, 89595-71-1, (2S,3S)-3-[(2S,3S)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one, DTXSID50904842, HY-N7486, AKOS040761479, FS-7474, DA-72139, CS-0129945 |
|---|---|
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 883.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3S)-3-[(2S,3S)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.3 |
| Molecular Formula | C32H26O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTCICADMSGBCKA-QWWQXMGCSA-N |
| Fcsp3 | 0.1875 |
| Logs | -5.416 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.289 |
| Compound Name | Chamaejasmenin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 570.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 570.153 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 570.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.796667142857145 |
| Inchi | InChI=1S/C32H26O10/c1-39-19-7-3-15(4-8-19)31-27(29(37)25-21(35)11-17(33)13-23(25)41-31)28-30(38)26-22(36)12-18(34)14-24(26)42-32(28)16-5-9-20(40-2)10-6-16/h3-14,27-28,31-36H,1-2H3/t27-,28-,31-,32-/m1/s1 |
| Smiles | COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)[C@H]4[C@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Wikstroemia Sikokiana (Plant) Rel Props:Source_db:cmaup_ingredients