6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one
PubChem CID: 11773397
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| Compound Synonyms | CHEMBL480277 |
|---|---|
| Topological Polar Surface Area | 159.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 596.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one |
| Prediction Hob | 0.0 |
| Xlogp | -0.2 |
| Molecular Formula | C17H16O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IRXXSCSYYWHGOR-BZSFSHPFSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -2.245 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.141 |
| Compound Name | 6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.074 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 380.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.165487296296297 |
| Inchi | InChI=1S/C17H16O10/c18-5-8-10(20)11(21)12(22)17(25-8)27-16-6-1-2-9(19)26-14(6)7-3-4-24-15(7)13(16)23/h1-4,8,10-12,17-18,20-23H,5H2/t8-,10-,11+,12-,17+/m1/s1 |
| Smiles | C1=CC(=O)OC2=C1C(=C(C3=C2C=CO3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Ruficaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all