8-Glucosyl-5,7-dihydroxy-2-isopropylchromone
PubChem CID: 5317688
Connections displayed (default: 10).
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| Compound Synonyms | 188785-44-6, 8-Glucosyl-5,7-dihydroxy-2-isopropylchromone, CHEMBL463692, AKOS040762857 |
|---|---|
| Topological Polar Surface Area | 157.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 591.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 5,7-dihydroxy-2-propan-2-yl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.1 |
| Molecular Formula | C18H22O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GFMIWSFTWTWABA-FMBSHMROSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.538 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.091 |
| Compound Name | 8-Glucosyl-5,7-dihydroxy-2-isopropylchromone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.126 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8268370740740751 |
| Inchi | InChI=1S/C18H22O9/c1-6(2)10-4-9(22)12-7(20)3-8(21)13(17(12)26-10)18-16(25)15(24)14(23)11(5-19)27-18/h3-4,6,11,14-16,18-21,23-25H,5H2,1-2H3/t11-,14-,15+,16-,18+/m1/s1 |
| Smiles | CC(C)C1=CC(=O)C2=C(O1)C(=C(C=C2O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Sikokumontanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ostryopsis Davidiana (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Osyris Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Polymnia Uvedalia (Plant) Rel Props:Source_db:npass_chem_all