CID 50908027
PubChem CID: 50908027
Connections displayed (default: 10).
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| Topological Polar Surface Area | 74.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 924.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C29H36O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XQGYANBBQXYPGU-YOVANRTCSA-N |
| Fcsp3 | 0.6551724137931034 |
| Logs | -5.443 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.823 |
| Compound Name | CID 50908027 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 480.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 480.251 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 480.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.561683342857145 |
| Inchi | InChI=1S/C29H36O6/c1-25-14-15-28(17-24(31)32-18-28)35-26(25,2)16-22(27(3)21(25)10-7-13-29(27)19-33-29)34-23(30)12-11-20-8-5-4-6-9-20/h4-6,8-9,11-12,21-22H,7,10,13-19H2,1-3H3/b12-11+/t21-,22+,25-,26+,27+,28+,29+/m1/s1 |
| Smiles | C[C@]12CC[C@@]3(CC(=O)OC3)O[C@]1(C[C@@H]([C@@]4([C@@H]2CCC[C@]45CO5)C)OC(=O)/C=C/C6=CC=CC=C6)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Maackia Amurensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Uncaria Lanosa (Plant) Rel Props:Source_db:cmaup_ingredients