Pisumoside A
PubChem CID: 85229547
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| Compound Synonyms | Pisumoside A, (-)-Pisumoside A, CHEBI:169782, [4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,3,13-trihydroxy-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
|---|---|
| Topological Polar Surface Area | 356.0 |
| Hydrogen Bond Donor Count | 14.0 |
| Heavy Atom Count | 59.0 |
| Description | Constituent of Pisum sativum (pea). Pisumoside A is found in pulses and common pea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1490.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,3,13-trihydroxy-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | -4.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Terpene glycosides |
| Molecular Formula | C38H62O21 |
| Inchi Key | KOGDNIPXKVTMKI-UHFFFAOYSA-N |
| Rotatable Bond Count | 11.0 |
| Synonyms | (-)-Pisumoside A, Pisumoside A |
| Substituent Name | Diterpene glycoside, Kaurane diterpenoid, Diterpenoid, O-glycosyl compound, Glycosyl compound, Disaccharide, Oxane, Saccharide, Tertiary alcohol, Cyclic alcohol, Secondary alcohol, Polyol, Carboxylic acid ester, 1,2-diol, Oxacycle, Organoheterocyclic compound, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic heteropolycyclic compound |
| Compound Name | Pisumoside A |
| Kingdom | Organic compounds |
| Exact Mass | 854.378 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 854.378 |
| Hydrogen Bond Acceptor Count | 21.0 |
| Molecular Weight | 854.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 24.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C38H62O21/c1-35-5-3-6-36(2,34(52)59-33-28(24(47)21(44)17(11-41)57-33)58-32-26(49)23(46)20(43)16(10-40)56-32)29(35)27(50)30(51)37-8-14(38(53,13-37)7-4-18(35)37)12-54-31-25(48)22(45)19(42)15(9-39)55-31/h14-33,39-51,53H,3-13H2,1-2H3 |
| Smiles | CC12CCCC(C1C(C(C34C2CCC(C3)(C(C4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)(C)C(=O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all