3-[1-[3-[Bis(4-hydroxyphenyl)methyl]-2,4,6-trihydroxyphenyl]-3,3-bis(4-hydroxyphenyl)-1-oxopropan-2-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
PubChem CID: 5319858
Connections displayed (default: 10).
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| Topological Polar Surface Area | 225.0 |
|---|---|
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 55.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1220.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[1-[3-[bis(4-hydroxyphenyl)methyl]-2,4,6-trihydroxyphenyl]-3,3-bis(4-hydroxyphenyl)-1-oxopropan-2-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.4 |
| Molecular Formula | C43H34O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QWHNAWOUXQQGRB-UHFFFAOYSA-N |
| Fcsp3 | 0.1162790697674418 |
| Logs | -3.998 |
| Rotatable Bond Count | 9.0 |
| Logd | 0.328 |
| Compound Name | 3-[1-[3-[Bis(4-hydroxyphenyl)methyl]-2,4,6-trihydroxyphenyl]-3,3-bis(4-hydroxyphenyl)-1-oxopropan-2-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 742.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 742.205 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 742.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.02880823636364 |
| Inchi | InChI=1S/C43H34O12/c44-25-9-1-21(2-10-25)35(22-3-11-26(45)12-4-22)37(30-20-55-34-18-29(48)17-31(49)38(34)41(30)52)42(53)40-33(51)19-32(50)39(43(40)54)36(23-5-13-27(46)14-6-23)24-7-15-28(47)16-8-24/h1-19,30,35-37,44-51,54H,20H2 |
| Smiles | C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C(C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)C(=O)C5=C(C=C(C(=C5O)C(C6=CC=C(C=C6)O)C7=CC=C(C=C7)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stellera Chamaejasme (Plant) Rel Props:Source_db:cmaup_ingredients