Saikochromoside A
PubChem CID: 70697379
Connections displayed (default: 10).
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| Compound Synonyms | Saikochromoside A, CHEMBL2087916 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | UIKLIOIWCUSJML-USACIQFYSA-N |
| Fcsp3 | 0.4705882352941176 |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 27.0 |
| Compound Name | Saikochromoside A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.106 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 566.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 384.3 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 5-hydroxy-7-methoxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]chromen-4-one |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -1.1904634740740743 |
| Inchi | InChI=1S/C17H20O10/c1-24-7-2-9(19)13-10(20)3-8(26-11(13)4-7)6-25-17-16(23)15(22)14(21)12(5-18)27-17/h2-4,12,14-19,21-23H,5-6H2,1H3/t12-,14-,15+,16-,17-/m1/s1 |
| Smiles | COC1=CC(=C2C(=C1)OC(=CC2=O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| Xlogp | -0.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H20O10 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients