(2R,3R)-3,7-dihydroxy-5-methoxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID: 162886073
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 137.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 459.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-3,7-dihydroxy-5-methoxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.9 |
| Molecular Formula | C16H14O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OAVCGVSJTQIJAZ-JKSUJKDBSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.043 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.511 |
| Compound Name | (2R,3R)-3,7-dihydroxy-5-methoxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.069 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 334.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.383636 |
| Inchi | InChI=1S/C16H14O8/c1-23-10-4-7(17)5-11-12(10)14(21)15(22)16(24-11)6-2-8(18)13(20)9(19)3-6/h2-5,15-20,22H,1H3/t15-,16+/m0/s1 |
| Smiles | COC1=CC(=CC2=C1C(=O)[C@@H]([C@H](O2)C3=CC(=C(C(=C3)O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cirsium Oligophyllum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Hupeana (Plant) Rel Props:Source_db:cmaup_ingredients