Ganervosin A
PubChem CID: 124223332
Connections displayed (default: 10).
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| Compound Synonyms | Ganervosin A, 116513-89-4 |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 925.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | [(1S,2S,5R,7R,8S,9S,10S,11R,13S)-7-acetyloxy-9,13-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate |
| Prediction Hob | 0.0 |
| Xlogp | 0.6 |
| Molecular Formula | C24H32O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NVVCDJSBEQXSFA-MMLHMKDTSA-N |
| Fcsp3 | 0.7916666666666666 |
| Logs | -4.188 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.553 |
| Compound Name | Ganervosin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 448.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 448.21 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 448.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7473744000000018 |
| Inchi | InChI=1S/C24H32O8/c1-11-14-6-7-15-22-10-30-24(29,23(15,9-14)19(11)31-12(2)25)20(32-13(3)26)18(22)21(4,5)16(27)8-17(22)28/h14-16,18-20,27,29H,1,6-10H2,2-5H3/t14-,15+,16+,18-,19-,20+,22-,23+,24-/m1/s1 |
| Smiles | CC(=O)O[C@H]1[C@H]2[C@@]3(CO[C@]1([C@]45[C@H]3CC[C@H](C4)C(=C)[C@H]5OC(=O)C)O)C(=O)C[C@@H](C2(C)C)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rabdosia Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients