Apigenin 6-C-glucosyl-8-C-arabinoside
PubChem CID: 137333732
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEBI:136613, Apigenin 6-C-glucosyl-8-C-arabinoside, Apigenin-6-C-glucosyl-8-C-arabinoside |
|---|---|
| Topological Polar Surface Area | 326.0 |
| Hydrogen Bond Donor Count | 13.0 |
| Heavy Atom Count | 51.0 |
| Description | Apigenin 6-c-glucosyl-8-c-arabinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 6-c-glucosyl-8-c-arabinoside can be found in fig, which makes apigenin 6-c-glucosyl-8-c-arabinoside a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1230.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 12.0 |
| Iupac Name | 8-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | -3.4 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C32H38O19 |
| Inchi Key | LXRDQACNDLNSQJ-RCNVSCNCSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | APIGENIN-4,6-C-GLUCOSYL-8-C-ARABINOSIDE |
| Compound Name | Apigenin 6-C-glucosyl-8-C-arabinoside |
| Kingdom | Organic compounds |
| Exact Mass | 726.201 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 726.201 |
| Hydrogen Bond Acceptor Count | 19.0 |
| Molecular Weight | 726.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C32H38O19/c33-6-13-19(37)24(42)27(45)30(49-13)17-22(40)16-11(36)5-12(48-29(16)18(23(17)41)31-26(44)21(39)14(7-34)50-31)9-1-3-10(4-2-9)47-32-28(46)25(43)20(38)15(8-35)51-32/h1-5,13-15,19-21,24-28,30-35,37-46H,6-8H2/t13-,14-,15-,19-,20-,21-,24+,25+,26+,27-,28-,30?,31?,32-/m1/s1 |
| Smiles | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4[C@H]([C@@H]([C@H](O4)CO)O)O)O)C5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all