(2R,3R)-3,5,7-trihydroxy-6,8-dimethyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID: 162970165
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| Topological Polar Surface Area | 148.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 501.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-3,5,7-trihydroxy-6,8-dimethyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.9 |
| Molecular Formula | C17H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XRFNWLUYIPSCPB-DOTOQJQBSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.4 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.367 |
| Compound Name | (2R,3R)-3,5,7-trihydroxy-6,8-dimethyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 348.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4605034000000003 |
| Inchi | InChI=1S/C17H16O8/c1-5-11(20)6(2)16-10(12(5)21)14(23)15(24)17(25-16)7-3-8(18)13(22)9(19)4-7/h3-4,15,17-22,24H,1-2H3/t15-,17+/m0/s1 |
| Smiles | CC1=C(C(=C2C(=C1O)C(=O)[C@@H]([C@H](O2)C3=CC(=C(C(=C3)O)O)O)O)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Physalis Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients