Details of Acaciaside
| IUPAC | (1R,2R,4S,5R,8R,10S,13R,14R,18S,21S)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-23-one |
| Canonical Smiles | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@]56[C@H]4CC([C@H](C5)OC6=O)(C)C)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O |
| Inchi | PPKDVDLTIXVLHW-XWZOUJQYSA-N |
| PubChem ID | 102446682 |
| Smiles | CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]23C[C@@H]1OC3=O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1%28C%29C%5BC%40H%5D2C3%3DCC%5BC%40%40H%5D4%5BC%40%40%5D5%28C%29CC%5BC%40H%5D%28O%5BC%40%40H%5D6O%5BC%40H%5D%28CO%5BC%40%40H%5D7O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D7O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D6O%5BC%40%40H%5D6OC%5BC%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D6O%29C%28C%29%28C%29%5BC%40%40H%5D5CC%5BC%40%40%5D4%28C%29%5BC%40%5D3%28C%29C%5BC%40%40H%5D%28O%29%5BC%40%40%5D23C%5BC%40%40H%5D1OC3%3DO/file?format=sdf&get3d=True -- CC1%28C%29C%5BC%40H%5D2C3%3DCC%5BC%40%40H%5D4%5BC%40%40%5D5%28C%29CC%5BC%40H%5D%28O%5BC%40%40H%5D6O%5BC%40H%5D%28CO%5BC%40%40H%5D7O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D7O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D6O%5BC%40%40H%5D6OC%5BC%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D6O%29C%28C%29%28C%29%5BC%40%40H%5D5CC%5BC%40%40%5D4%28C%29%5BC%40%5D3%28C%29C%5BC%40%40H%5D%28O%29%5BC%40%40%5D23C%5BC%40%40H%5D1OC3%3DO could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |