Uncinoside B
PubChem CID: 11743072
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| Compound Synonyms | Uncinoside B, [2,6,8-trimethyl-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-yl] acetate, (2,6,8-trimethyl-4-oxo-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-5-yl) acetate, 5-acetoxyl-2,6,8-trimethylchromone 7-O-beta-D-glucopyranoside, 474104-96-6 |
|---|---|
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 693.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [2,6,8-trimethyl-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C20H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LWUPJUOQFDZAMI-CTXHMNPMSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.113 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.106 |
| Compound Name | Uncinoside B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 424.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.041459066666667 |
| Inchi | InChI=1S/C20H24O10/c1-7-5-11(23)13-18(27-7)8(2)17(9(3)19(13)28-10(4)22)30-20-16(26)15(25)14(24)12(6-21)29-20/h5,12,14-16,20-21,24-26H,6H2,1-4H3/t12-,14-,15+,16-,20+/m1/s1 |
| Smiles | CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)OC(=O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Selaginella Uncinata (Plant) Rel Props:Source_db:cmaup_ingredients