Kaempferol 3-triglucoside 7-rhamnoside
PubChem CID: 157010006
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| Compound Synonyms | Kaempferol 3-triglucoside 7-rhamnoside |
|---|---|
| Topological Polar Surface Area | 404.0 |
| Hydrogen Bond Donor Count | 15.0 |
| Inchi Key | CNFGSZGDPBXGDR-SOBISPGZSA-N |
| Rotatable Bond Count | 12.0 |
| Heavy Atom Count | 64.0 |
| Compound Name | Kaempferol 3-triglucoside 7-rhamnoside |
| Description | Kaempferol 3-triglucoside 7-rhamnoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-triglucoside 7-rhamnoside can be found in potato, which makes kaempferol 3-triglucoside 7-rhamnoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 918.264 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 918.264 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1580.0 |
| Hydrogen Bond Acceptor Count | 25.0 |
| Molecular Weight | 918.8 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 20.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,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]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 20.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C39H50O25/c1-11-21(43)26(48)32(54)38(58-11)59-14-6-15(42)20-16(7-14)60-34(12-2-4-13(41)5-3-12)35(25(20)47)64-39-33(55)29(51)24(46)19(63-39)10-57-37-31(53)28(50)23(45)18(62-37)9-56-36-30(52)27(49)22(44)17(8-40)61-36/h2-7,11,17-19,21-24,26-33,36-46,48-55H,8-10H2,1H3/t11-,17+,18+,19+,21-,22+,23+,24+,26+,27-,28-,29-,30+,31+,32+,33+,36+,37+,38-,39-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)C7=CC=C(C=C7)O)O)O)O)O |
| Xlogp | -4.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C39H50O25 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all