Capsicoside C3
PubChem CID: 14408723
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| Compound Synonyms | Capsicoside C3 |
|---|---|
| Topological Polar Surface Area | 256.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | OKFUWWZDPLSBLG-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Substituent Name | Steroidal saponin, Polycyclic triterpenoid, Triterpenoid, Spirostane skeleton, Oligosaccharide, Delta-5-steroid, O-glycosyl compound, Glycosyl compound, Oxane, Saccharide, Oxolane, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic heteropolycyclic compound |
| Synonyms | Capsicoside C3 |
| Heavy Atom Count | 61.0 |
| Compound Name | Capsicoside C3 |
| Kingdom | Organic compounds |
| Description | Constituent of Capsicum annuum roots. Capsicoside C3 is found in many foods, some of which are green bell pepper, pepper (c. annuum), red bell pepper, and orange bell pepper. |
| Exact Mass | 870.461 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 870.461 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1590.0 |
| Hydrogen Bond Acceptor Count | 17.0 |
| Molecular Weight | 871.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol |
| Total Atom Stereocenter Count | 25.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Steroids and steroid derivatives |
| Inchi | InChI=1S/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(52)33(50)37(29(16-46)58-40)59-41-36(53)38(32(49)28(15-45)57-41)60-39-34(51)31(48)26(47)18-54-39/h5,19-20,22-41,45-53H,6-18H2,1-4H3 |
| Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)O)O)O)C)C)C)OC1 |
| Xlogp | 0.4 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Steroidal glycosides |
| Taxonomy Direct Parent | Steroidal saponins |
| Molecular Formula | C44H70O17 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all