Details of Anogeissusins A
| IUPAC | (1R,2R,20R,42S,46R)-46-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-15-[(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-46-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11(16),12,14,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone |
| Canonical Smiles | C1C(C(OC2=C1C(=CC(=C2C3C4C5C6C(COC(=O)C7=C(C8=C(C(=C(C=C8C(=O)O6)O)O)O)C(=C(C(=C7C9C1C2C6C(COC(=O)C7=CC(=C(C(=C7C7=C(C(=C(C=C7C(=O)O6)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C6=C(C(=C(C(=C6O)O)O)C6=C(C9=C(C(=C6O)O)O)C(=O)O1)C(=O)O2)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C(=C1O)O)O)C1=C(C3=C(C(=C1O)O)O)C(=O)O4)C(=O)O5)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
| Inchi | ZTYNDUBZMXINFQ-QCZRERSHSA-N |
| PubChem ID | 163183871 |
| Smiles | O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)c2c-4c(O)c(O)c(O)c2C1c1c(O)c(O)c(O)c2c1C(=O)OCC1OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C1OC(=O)c1cc(O)c(O)c(O)c1-2)C1OC(=O)c2c-4c(O)c(O)c(O)c2C1c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2 |
| Class | |
| Super Class | |
| Pathways |