Isosakuranetin 7-[arabinosyl-(1->6)-glucoside]
PubChem CID: 157009806
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Isosakuranetin 7-[arabinosyl-(1->6)-glucoside] |
|---|---|
| Topological Polar Surface Area | 214.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | DVGAUVZPQOOYFU-BLFWKTEASA-N |
| Rotatable Bond Count | 8.0 |
| State | solid |
| Synonyms | (S)-5,7-Dihydroxy-4'-methoxyflavanone 7-O-[a-L-arabinofuranosyl-(1->6)-b-D-glucopyranoside], 5,7-Dihydroxy-4'-methoxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside, Isosakuranetin 7-[arabinosyl-(1->6)-glucoside], Isosakuranetin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside, Isosakuranetin 7-O-[a-L-arabinofuranosyl-(1->6)-b-D-glucopyranoside], Isosakuranetin 7-O-[a-L-arabinosyl-(1->6)-b-D-glucoside] |
| Heavy Atom Count | 41.0 |
| Compound Name | Isosakuranetin 7-[arabinosyl-(1->6)-glucoside] |
| Description | Constituent of Punica granatum (pomegranate)[CCD]. Isosakuranetin 7-[arabinosyl-(1->6)-glucoside] is found in pomegranate. |
| Exact Mass | 580.179 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 580.179 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 869.0 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 580.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Nih Violation | True |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H32O14/c1-36-12-4-2-11(3-5-12)16-8-15(30)20-14(29)6-13(7-17(20)39-16)38-27-25(35)23(33)22(32)19(41-27)10-37-26-24(34)21(31)18(9-28)40-26/h2-7,16,18-19,21-29,31-35H,8-10H2,1H3/t16?,18-,19+,21-,22+,23-,24+,25+,26+,27+/m0/s1 |
| Smiles | COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](O5)CO)O)O)O)O)O)O |
| Xlogp | -0.6 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H32O14 |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all