Yamayomoginin
PubChem CID: 11969589
Connections displayed (default: 10).
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| Compound Synonyms | Yamayomoginin, NSC600097, NSC-600097 |
|---|---|
| Topological Polar Surface Area | 97.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 663.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | [(1S,2R,5R,11R,13S,14R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-4-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C17H22O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YJXMJQURAAYEHM-PRVKOSPGSA-N |
| Fcsp3 | 0.8823529411764706 |
| Logs | -3.205 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.569 |
| Compound Name | Yamayomoginin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 338.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7554072000000005 |
| Inchi | InChI=1S/C17H22O7/c1-6-9-8(21-7(2)18)5-15(3,20)17-11(10(9)22-14(6)19)16(4)12(23-16)13(17)24-17/h6,8-13,20H,5H2,1-4H3/t6?,8?,9-,10?,11?,12+,13-,15-,16-,17+/m1/s1 |
| Smiles | CC1[C@@H]2C(C[C@@]([C@]34[C@H](O3)[C@H]5[C@@](C4C2OC1=O)(O5)C)(C)O)OC(=O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients