5-hydroxy-2-[4-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]-7-methoxychromen-4-one
PubChem CID: 162932099
Connections displayed (default: 10).
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| Topological Polar Surface Area | 141.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 999.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-hydroxy-2-[4-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]-7-methoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C32H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GRDGMXLERDFPHE-VWLOTQADSA-N |
| Fcsp3 | 0.125 |
| Logs | -5.063 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.112 |
| Compound Name | 5-hydroxy-2-[4-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]-7-methoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 568.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 568.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 568.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.5366441333333345 |
| Inchi | InChI=1S/C32H24O10/c1-38-20-11-21(34)29-22(35)13-24(41-26(29)12-20)17-5-9-19(10-6-17)40-32-28(39-2)15-27-30(31(32)37)23(36)14-25(42-27)16-3-7-18(33)8-4-16/h3-13,15,25,33-34,37H,14H2,1-2H3/t25-/m0/s1 |
| Smiles | COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)OC4=C(C=C5C(=C4O)C(=O)C[C@H](O5)C6=CC=C(C=C6)O)OC)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Etlingera Elatior (Plant) Rel Props:Source_db:cmaup_ingredients