Kaempferol 3-[apiosyl-(1->2)-galactoside]
PubChem CID: 5465153
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| Compound Synonyms | NSC641260, Kaempferol 3-apiosyl-(1->2)-galactoside, Kaempferol 3-[apiosyl-(1->2)-galactoside], CHEBI:173303, LMPK12111664, NSC-641260, 3-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, Kaempferol {3-O-[.beta.-D-apiofuranosyl(1-2)]-.beta.-galacto} pyranoside, Kaempferol 3-O-[.beta.-D-apiofuranosyl(1-2)]-.beta.-galacto pyranoside, 3-[3-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-(3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl)hexopyranoside |
|---|---|
| Topological Polar Surface Area | 245.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | MNBRHJWOHPGQIW-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | 2''-(Apiofuranosyl)astragalin, 2''-(Apiosyl)astragalin, 2''-(O-b-D-Apiofuranosyl)astragalin, Astragalin 2''-O-b-D-apiofuranoside, Kaempferol 3-apiosyl-(1->2)-glucoside |
| Heavy Atom Count | 41.0 |
| Compound Name | Kaempferol 3-[apiosyl-(1->2)-galactoside] |
| Description | Possibly isolated from the leaves of Cicer arietinum (chickpea). 2''-Apiosylastragalin is found in chickpea and pulses. |
| Exact Mass | 580.143 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 580.143 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 969.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 580.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C26H28O15/c27-7-15-17(32)19(34)22(41-25-23(35)26(36,8-28)9-37-25)24(39-15)40-21-18(33)16-13(31)5-12(30)6-14(16)38-20(21)10-1-3-11(29)4-2-10/h1-6,15,17,19,22-25,27-32,34-36H,7-9H2 |
| Smiles | C1C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)(CO)O |
| Xlogp | -0.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C26H28O15 |
- 1. Outgoing r'ship
FOUND_INto/from Cicer Arietinum (Plant) Rel Props:Source_db:fooddb_chem_all