Details of Rugosin C
| IUPAC | 3,4,5-trihydroxy-2-[[(1R,2S,18R,19S,21R)-7,8,9,12,13,14,28,29,32,33,34-undecahydroxy-4,24,37-trioxo-19-(3,4,5-trihydroxybenzoyl)oxy-3,17,20,23,38-pentaoxaheptacyclo[19.17.0.02,18.05,10.011,16.025,30.031,36]octatriaconta-5,7,9,11(16),12,14,25,27,29,31,33,35-dodecaen-27-yl]oxy]benzoic acid |
| Canonical Smiles | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC5=C(C6=C(C(=C(C=C6C(=O)O3)O)O)O)C(=C(C(=C5)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O)O)O)O)O |
| Inchi | YUGQNXZWZNNEHF-XKKQMMHGSA-N |
| PubChem ID | 101590860 |
| Smiles | O=C(OC1OC2COC(=O)c3cc(Oc4c(C(=O)O)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)OC12)c1cc(O)c(O)c(O)c1 |
| Class | |
| Super Class | |
| Pathways |