Medicarpin 3-O-(6'-malonylgluclside)
PubChem CID: 44257430
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| Compound Synonyms | Medicarpin 3-O-(6'-malonylgluclside), CHEBI:184506, LMPK12070006, Medicarpin 3-O-(6'-malonylglucoside), 3-oxo-3-[[3,4,5-trihydroxy-6-[(9-methoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromen-3-yl)oxy]oxan-2-yl]methoxy]propanoic acid |
|---|---|
| Topological Polar Surface Area | 170.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | BQAJKXKYTQTBDK-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | Medicarpin 3-O-(6'-malonylgluclside), Medicarpin 3-O-(6'-malonylglucoside) |
| Heavy Atom Count | 37.0 |
| Compound Name | Medicarpin 3-O-(6'-malonylgluclside) |
| Description | Isolated from Medicago sativa (alfalfa). Medicarpin 3-O-(6'-malonylglucoside) is found in alfalfa and pulses. |
| Exact Mass | 518.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 518.142 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 823.0 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 518.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-oxo-3-[[3,4,5-trihydroxy-6-[(9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl)oxy]oxan-2-yl]methoxy]propanoic acid |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27) |
| Smiles | COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O |
| Xlogp | 0.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C25H26O12 |
- 1. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:fooddb_chem_all