Suspensolide F
PubChem CID: 46173906
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| Compound Synonyms | Kanokoside B, Suspensolide F, CHEMBL4176732, CHEBI:81082, DTXSID501100187, 64703-86-2, C17429, Q27155040, I(2)-D-Glucopyranoside, [(1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl |
|---|---|
| Topological Polar Surface Area | 196.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | HOCKGUMMVOPFFC-RHMPUOGUSA-N |
| Rotatable Bond Count | 9.0 |
| Heavy Atom Count | 33.0 |
| Compound Name | Suspensolide F |
| Exact Mass | 478.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.205 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 713.0 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 478.5 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | [(1S,4aS,6S,7R,7aS)-6,7-dihydroxy-7-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H34O12/c1-9(2)3-14(25)33-19-15-11(4-13(24)21(15,29)8-23)10(6-30-19)7-31-20-18(28)17(27)16(26)12(5-22)32-20/h6,9,11-13,15-20,22-24,26-29H,3-5,7-8H2,1-2H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1 |
| Smiles | CC(C)CC(=O)O[C@H]1[C@H]2[C@H](C[C@@H]([C@@]2(CO)O)O)C(=CO1)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| Xlogp | -2.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C21H34O12 |
- 1. Outgoing r'ship
FOUND_INto/from Sambucus Williamsii (Plant) Rel Props:Source_db:npass_chem_all