Eryciboside G
PubChem CID: 46185078
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| Compound Synonyms | ERYCIBOSIDE G, CHEMBL1088453 |
|---|---|
| Topological Polar Surface Area | 203.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 724.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | [(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-propan-2-yloxyoxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -1.8 |
| Is Pains | False |
| Molecular Formula | C23H34O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFPBXNVGSCGTKA-XRHVASMWSA-N |
| Fcsp3 | 0.6956521739130435 |
| Rotatable Bond Count | 11.0 |
| Compound Name | Eryciboside G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 534.195 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 534.195 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 534.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.439168200000002 |
| Inchi | InChI=1S/C23H34O14/c1-10(2)36-21-18(27)17(26)16(25)14(37-21)7-33-22-19(28)23(30,9-35-22)8-34-20(29)11-5-12(31-3)15(24)13(6-11)32-4/h5-6,10,14,16-19,21-22,24-28,30H,7-9H2,1-4H3/t14-,16-,17+,18-,19+,21-,22-,23-/m1/s1 |
| Smiles | CC(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@](CO2)(COC(=O)C3=CC(=C(C(=C3)OC)O)OC)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erycibe Hainanesis (Plant) Rel Props:Source_db:cmaup_ingredients