Cellopentaosylsitosterol
PubChem CID: 157009969
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cellopentaosylsitosterol |
|---|---|
| Topological Polar Surface Area | 416.0 |
| Hydrogen Bond Donor Count | 16.0 |
| Inchi Key | ITUHLERTIFLQRH-UHFFFAOYSA-N |
| Rotatable Bond Count | 21.0 |
| Heavy Atom Count | 85.0 |
| Compound Name | Cellopentaosylsitosterol |
| Description | Cellopentaosylsitosterol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cellopentaosylsitosterol can be found in rice, which makes cellopentaosylsitosterol a potential biomarker for the consumption of this food product. |
| Exact Mass | 1224.65 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 1224.65 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2150.0 |
| Hydrogen Bond Acceptor Count | 26.0 |
| Molecular Weight | 1225.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[6-[6-[6-[6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 34.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C59H100O26/c1-7-26(24(2)3)9-8-25(4)30-12-13-31-29-11-10-27-18-28(14-16-58(27,5)32(29)15-17-59(30,31)6)76-53-45(72)40(67)49(34(20-61)78-53)83-55-47(74)42(69)51(36(22-63)80-55)85-57-48(75)43(70)52(37(23-64)81-57)84-56-46(73)41(68)50(35(21-62)79-56)82-54-44(71)39(66)38(65)33(19-60)77-54/h10,24-26,28-57,60-75H,7-9,11-23H2,1-6H3 |
| Smiles | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)O)O)O)O)C)C)C(C)C |
| Xlogp | -0.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C59H100O26 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all