From Plagiogyria euphlebia plant
PubChem CID: 11969630
Connections displayed (default: 10).
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| Compound Synonyms | NSC605337, From Plagiogyria euphlebia plant, NSC-605337 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 510.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,5E,6R,7R)-7,8-dihydroxy-5-[(4-hydroxyphenyl)methylidene]-3,9,11-trioxatricyclo[5.3.1.02,6]undecan-4-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C15H14O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PWQBEBGUDFGPIQ-YNUJDMDGSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.868 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.951 |
| Compound Name | From Plagiogyria euphlebia plant |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 306.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 306.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.7738921818181819 |
| Inchi | InChI=1S/C15H14O7/c16-8-3-1-7(2-4-8)5-9-11-12(21-13(9)17)10-6-20-14(18)15(11,19)22-10/h1-5,10-12,14,16,18-19H,6H2/b9-5+/t10?,11-,12-,14?,15-/m1/s1 |
| Smiles | C1C2[C@@H]3[C@@H](/C(=C\C4=CC=C(C=C4)O)/C(=O)O3)[C@@](O2)(C(O1)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Plagiogyria Euphlebia (Plant) Rel Props:Source_db:cmaup_ingredients