Kaempferol 3-feruloyl-triglucoside
PubChem CID: 157009983
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| Compound Synonyms | Kaempferol 3-feruloyl-triglucoside |
|---|---|
| Topological Polar Surface Area | 411.0 |
| Hydrogen Bond Donor Count | 15.0 |
| Inchi Key | UXCCDKZCOZHDSR-ICFZQDQRSA-N |
| Rotatable Bond Count | 13.0 |
| Heavy Atom Count | 68.0 |
| Compound Name | Kaempferol 3-feruloyl-triglucoside |
| Description | Kaempferol 3-feruloyl-triglucoside can be found in common pea, which makes kaempferol 3-feruloyl-triglucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 966.264 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 966.264 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1470.0 |
| Hydrogen Bond Acceptor Count | 25.0 |
| Molecular Weight | 966.8 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 2.0 |
| Defined Atom Stereocenter Count | 15.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one, [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C27H30O16.C16H20O9/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9, 1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2, 2-6,11,13-17,19-22H,7H2,1H3/b, 5-3+/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+, 11-,13-,14+,15-,16-/m11/s1 |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O.C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C43H50O25 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all