3,3'-Dihydroxy-5-methoxy-2,4,6-tri(4-hydroxybenzyl)bibenzyl
PubChem CID: 129882056
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| Compound Synonyms | 3,3'-dihydroxy-5-methoxy-2,4,6-tri(4-hydroxybenzyl)bibenzyl |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 769.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-(3-hydroxyphenyl)ethyl]-2,4,6-tris[(4-hydroxyphenyl)methyl]-5-methoxyphenol |
| Prediction Hob | 0.0 |
| Xlogp | 8.1 |
| Molecular Formula | C36H34O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DOSUIHOTANJWQY-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.161 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.996 |
| Compound Name | 3,3'-Dihydroxy-5-methoxy-2,4,6-tri(4-hydroxybenzyl)bibenzyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 562.236 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 562.236 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 562.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.30007582857143 |
| Inchi | InChI=1S/C36H34O6/c1-42-36-33(21-25-7-14-28(38)15-8-25)31(18-11-23-3-2-4-30(40)19-23)32(20-24-5-12-27(37)13-6-24)35(41)34(36)22-26-9-16-29(39)17-10-26/h2-10,12-17,19,37-41H,11,18,20-22H2,1H3 |
| Smiles | COC1=C(C(=C(C(=C1CC2=CC=C(C=C2)O)O)CC3=CC=C(C=C3)O)CCC4=CC(=CC=C4)O)CC5=CC=C(C=C5)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isodon Lungshengensis (Plant) Rel Props:Source_db:cmaup_ingredients