5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one
PubChem CID: 11428934
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| Compound Synonyms | CHEMBL516929 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -0.2 |
| Is Pains | False |
| Molecular Formula | C17H16O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JIKXNZQDUGFOAA-BQHUGBOASA-N |
| Fcsp3 | 0.3529411764705882 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 5-hydroxy-6-[(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 |
| Brenk Violation | True |
| 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/c18-5-8-11(21)12(22)13(23)17(25-8)27-16-10(20)6-1-2-9(19)26-14(6)7-3-4-24-15(7)16/h1-4,8,11-13,17-18,20-23H,5H2/t8-,11-,12+,13-,17+/m1/s1 |
| Smiles | C1=CC(=O)OC2=C3C=COC3=C(C(=C21)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Ruficaulis (Plant) Rel Props:Source_db:cmaup_ingredients