Chushizisin G
PubChem CID: 42639502
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| Compound Synonyms | CHUSHIZISIN G, 4-((2R,3S,4R)-3-(hydroxymethyl)-4-((4-hydroxyphenyl)-methoxymethyl)oxolan-2-yl)phenol, 4-[(2R,3S,4R)-3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol, CHEMBL559774, 1142925-36-7 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 4-[(2R,3S,4R)-3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C19H22O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HPAZDJQKSZTHER-HFIAIYGTSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -3.204 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.407 |
| Compound Name | Chushizisin G |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 330.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.112756 |
| Inchi | InChI=1S/C19H22O5/c1-23-18(12-2-6-14(21)7-3-12)17-11-24-19(16(17)10-20)13-4-8-15(22)9-5-13/h2-9,16-22H,10-11H2,1H3/t16-,17+,18?,19+/m1/s1 |
| Smiles | COC([C@H]1CO[C@H]([C@@H]1CO)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Betula Papyrifera (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Boswellia Papyrifera (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Broussonetia Kazinoki (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all