Ellagic acid 4-O-alpha-L-arabinofuranoside
PubChem CID: 101129362
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| Compound Synonyms | Ellagic acid 4-O-alpha-L-arabinofuranoside, 358617-39-7, FS-10578 |
|---|---|
| Topological Polar Surface Area | 192.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 745.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | 6-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-7,13,14-trihydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione |
| Prediction Hob | 0.0 |
| Xlogp | -0.1 |
| Molecular Formula | C19H14O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZDCOTMGNTTWIV-KPJJWNKPSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -5.419 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.401 |
| Compound Name | Ellagic acid 4-O-alpha-L-arabinofuranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 434.049 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.049 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 434.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0774512838709684 |
| Inchi | InChI=1S/C19H14O12/c20-3-8-12(23)14(25)19(29-8)28-7-2-5-10-9-4(17(26)31-16(10)13(7)24)1-6(21)11(22)15(9)30-18(5)27/h1-2,8,12,14,19-25H,3H2/t8-,12-,14+,19+/m0/s1 |
| Smiles | C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O[C@H]5[C@@H]([C@H]([C@@H](O5)CO)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Casimiroa Tetrameria (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cissus Quinquefolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Colchicum Speciosum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Heliomeris Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ligularia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Rosa Laevigata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Senecio Sinuatus (Plant) Rel Props:Source_db:cmaup_ingredients