Details of Thapsuine A
| IUPAC | 2-[2-[[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[[(1S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical Smiles | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3CCC4(C(C3(C)CO)CCC5(C4C=CC67C5(CCC8(C6CC(CC8)(C)C)CO7)C)C)C)COC9C(C(C(C(O9)C)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O)O |
| Inchi | AGRBCEPQHVINNI-XQGZWKFBSA-N |
| PubChem ID | 5458837 |
| Smiles | CC1OC(OC2C(O)C(COC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)OC(OC3CCC4(C)C(CCC5(C)C4C=CC46OCC7(CCC(C)(C)CC74)CCC56C)C3(C)CO)C2O)C(O)C(O)C1O |
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