CID 15834666
PubChem CID: 15834666
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| Compound Synonyms | DTXSID801098654, 214850-33-6, Dispiro[furan-3(2H),2a(2)(5a(2)H)-furan-5a(2),1a(2)a(2)(2a(2)a(2)H)-naphthalen]-3a(2)a(2)(4a(2)a(2)H)-one, decahydro-4a(2)a(2),5-dihydroxy-5a(2)a(2)-(hydroxymethyl)-2a(2)a(2),5a(2)a(2),8a(2)a(2)a-trimethyl-, (1a(2)a(2)R,2a(2)R,2a(2)a(2)S,4a(2)a(2)S,4a(2)a(2)aS,5S,5a(2)a(2)S,8a(2)a(2)aS)- |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 609.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 1.2 |
| Is Pains | False |
| Molecular Formula | C20H32O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HPZLKIGTAIFNRG-NVKDNOBMSA-N |
| Fcsp3 | 0.95 |
| Logs | -4.341 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.335 |
| Compound Name | CID 15834666 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.22 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 368.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 368.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.801914 |
| Inchi | InChI=1S/C20H32O6/c1-12-14(23)15(24)16-17(2,10-21)5-4-6-18(16,3)20(12)8-7-19(26-20)9-13(22)25-11-19/h12-13,15-16,21-22,24H,4-11H2,1-3H3/t12-,13+,15-,16+,17-,18+,19-,20-/m1/s1 |
| Smiles | C[C@@H]1C(=O)[C@H]([C@H]2[C@@](CCC[C@@]2([C@@]13CC[C@@]4(O3)C[C@H](OC4)O)C)(C)CO)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leonurus Persicus (Plant) Rel Props:Source_db:cmaup_ingredients