Details of Tanghinoside
| IUPAC | [2-[[18-hydroxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-7-yl]oxy]-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl] acetate |
| Canonical Smiles | CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C46C(O6)CC3C2)O)C7=CC(=O)OC7)C)C)OC(=O)C)OC)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O |
| Inchi | MVAHEKHGGTVTDW-UHFFFAOYSA-N |
| PubChem ID | 158041 |
| Smiles | COC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)OC(OC2CCC3(C)C(C2)CC2OC24C3CCC2(C)C(c3coc(O)c3)CCC24O)C1OC(C)=O |
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| Class | Cardenolides |
| Super Class | Steroids |
| Pathways | Terpenoids |
