Ichangin 4-glucoside
PubChem CID: 131752610
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| Compound Synonyms | Ichangin 4-glucoside, CHEBI:168813, 11-(uran-3-yl)-5-(2-hydroxypropan-2-yl)-2,10-dimethyl-4'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecane-6,5'-oxane]-2',3,13-trione |
|---|---|
| Topological Polar Surface Area | 215.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | MUZOGCSYWJPGRB-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | Ichangin 4-glucoside, Ichangin 4-O-b-D-glucopyranoside, Ichangin 4-O-b-D-glucoside |
| Heavy Atom Count | 46.0 |
| Compound Name | Ichangin 4-glucoside |
| Description | Isolated from Citrus limon (lemon). Ichangin 4-glucoside is found in lemon and citrus. |
| Exact Mass | 650.257 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 650.257 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1290.0 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 650.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,10-dimethyl-4'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecane-6,5'-oxane]-2',3,13-trione |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C32H42O14/c1-28(2,40)17-9-18(34)30(4)16(5-7-29(3)24(14-6-8-41-12-14)45-26(39)25-32(29,30)46-25)31(17)13-42-20(35)10-19(31)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38,40H,5,7,9-11,13H2,1-4H3 |
| Smiles | CC12CCC3C(C14C(O4)C(=O)OC2C5=COC=C5)(C(=O)CC(C36COC(=O)CC6OC7C(C(C(C(O7)CO)O)O)O)C(C)(C)O)C |
| Xlogp | -0.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C32H42O14 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all