Pisumoside B
PubChem CID: 85245998
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| Compound Synonyms | Pisumoside B, (-)-Pisumoside B, CHEBI:186214, [4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,3,13-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
|---|---|
| Topological Polar Surface Area | 277.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 48.0 |
| Description | Constituent of Pisum sativum (pea). Pisumoside B is found in pulses and common pea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1190.0 |
| 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-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | -1.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Terpene glycosides |
| Molecular Formula | C32H52O16 |
| Inchi Key | YOTRDVISFUJMJN-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | (-)-Pisumoside B, Pisumoside B |
| 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 B |
| Kingdom | Organic compounds |
| Exact Mass | 692.326 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 692.326 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 692.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 19.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C32H52O16/c1-29-5-3-6-30(2,24(29)22(41)25(42)31-8-13(9-33)32(44,12-31)7-4-16(29)31)28(43)48-27-23(20(39)18(37)15(11-35)46-27)47-26-21(40)19(38)17(36)14(10-34)45-26/h13-27,33-42,44H,3-12H2,1-2H3 |
| Smiles | CC12CCCC(C1C(C(C34C2CCC(C3)(C(C4)CO)O)O)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)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