Pollenin B
PubChem CID: 74978527
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| Compound Synonyms | Pollenin B, CHEBI:191993, 5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 196.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | ATOXWOVZPMMCKB-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | Herbacetin 7-methyl ether 3-glucoside, Pollenin B |
| Heavy Atom Count | 34.0 |
| Compound Name | Pollenin B |
| Description | Isolated from the pollen of Camellia sinensis (tea). Pollenin B is found in tea. |
| Exact Mass | 478.111 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 478.111 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 765.0 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 478.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 5.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C22H22O12/c1-31-11-6-10(25)13-16(28)21(34-22-18(30)17(29)14(26)12(7-23)32-22)19(33-20(13)15(11)27)8-2-4-9(24)5-3-8/h2-6,12,14,17-18,22-27,29-30H,7H2,1H3 |
| Smiles | COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| Xlogp | 0.7 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H22O12 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all