Kaempferol 3-sophoroside-rhamnoside
PubChem CID: 157010005
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| Compound Synonyms | Kaempferol 3-sophoroside-rhamnoside |
|---|---|
| Topological Polar Surface Area | 324.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Inchi Key | WJOWWTKZKINDGK-AYXXPNGCSA-N |
| Rotatable Bond Count | 9.0 |
| Heavy Atom Count | 53.0 |
| Compound Name | Kaempferol 3-sophoroside-rhamnoside |
| Description | Kaempferol 3-sophoroside-rhamnoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-sophoroside-rhamnoside can be found in potato, which makes kaempferol 3-sophoroside-rhamnoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 756.211 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 756.211 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1280.0 |
| Hydrogen Bond Acceptor Count | 20.0 |
| Molecular Weight | 756.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 15.0 |
| Iupac Name | 3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H40O20/c1-10-27(51-33-30(23(43)20(40)17(9-35)50-33)53-32-25(45)22(42)19(39)16(8-34)49-32)24(44)26(46)31(47-10)52-29-21(41)18-14(38)6-13(37)7-15(18)48-28(29)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-20,22-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19+,20+,22-,23-,24-,25+,26+,27-,30+,31-,32-,33-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| Xlogp | -2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C33H40O20 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all