Details of Albizoside B
| IUPAC | [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3-[(2E,6S)-6-[(2S,3R,4R,5S,6R)-5-[(2E,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2E,6S)-2-(hydroxymethyl)-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoyl]oxy-6-methyloxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-10-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Canonical Smiles | CC1C(C(C(C(O1)OC(C)(CCC=C(CO)C(=O)OC2C(C(C(OC2OC(C)(CCC=C(C)C(=O)OC3C(OC(C(C3O)O)OC(C)(CCC=C(CO)C(=O)OC4CC5(C(CC4(C)C)C6=CCC7C8(CCC(C(C8CCC7(C6(CC5O)C)C)(C)C)OC9C(C(C(C(O9)COC1C(C(C(C(O1)C)O)O)OC1C(C(C(CO1)O)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C(=O)OC1C(C(C(C(O1)CO)O)O)OC1C(C(C(C(O1)C)OC1C(C(C(O1)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C=C)C)C=C)C)O)O)C=C)O)O)O |
| Inchi | JOEVSZGZFHWRGR-KTPAMDGSSA-N |
| PubChem ID | 42639815 |
| Smiles | C=CC(C)(CC=CC(CO)C(=O)OC1C(OC(C)(C=C)CC=CC(C)C(=O)OC2C(C)OC(OC(C)(C=C)CC=CC(CO)C(=O)OC3CC4(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(C)C(OC6OC(CO)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)CC5(C)C(=CCC6C7(C)CCC(OC8OC(COC9OC(C)C(O)C(O)C9OC9OCC(O)C(O)C9O)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC65C)C4CC3(C)C)C(O)C2O)OC(C)C(O)C1O)OC1OC(C)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%3DCC%28C%29%28CC%3DCC%28CO%29C%28%3DO%29OC1C%28OC%28C%29%28C%3DC%29CC%3DCC%28C%29C%28%3DO%29OC2C%28C%29OC%28OC%28C%29%28C%3DC%29CC%3DCC%28CO%29C%28%3DO%29OC3CC4%28C%28%3DO%29OC5OC%28CO%29C%28O%29C%28O%29C5OC5OC%28C%29C%28OC6OC%28CO%29C%28O%29C6O%29C%28OC6OC%28CO%29C%28O%29C%28O%29C6O%29C5O%29C%28O%29CC5%28C%29C%28%3DCCC6C7%28C%29CCC%28OC8OC%28COC9OC%28C%29C%28O%29C%28O%29C9OC9OCC%28O%29C%28O%29C9O%29C%28O%29C%28O%29C8OC8OC%28CO%29C%28O%29C%28O%29C8O%29C%28C%29%28C%29C7CCC65C%29C4CC3%28C%29C%29C%28O%29C2O%29OC%28C%29C%28O%29C1O%29OC1OC%28C%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- C%3DCC%28C%29%28CC%3DCC%28CO%29C%28%3DO%29OC1C%28OC%28C%29%28C%3DC%29CC%3DCC%28C%29C%28%3DO%29OC2C%28C%29OC%28OC%28C%29%28C%3DC%29CC%3DCC%28CO%29C%28%3DO%29OC3CC4%28C%28%3DO%29OC5OC%28CO%29C%28O%29C%28O%29C5OC5OC%28C%29C%28OC6OC%28CO%29C%28O%29C6O%29C%28OC6OC%28CO%29C%28O%29C%28O%29C6O%29C5O%29C%28O%29CC5%28C%29C%28%3DCCC6C7%28C%29CCC%28OC8OC%28COC9OC%28C%29C%28O%29C%28O%29C9OC9OCC%28O%29C%28O%29C9O%29C%28O%29C%28O%29C8OC8OC%28CO%29C%28O%29C%28O%29C8O%29C%28C%29%28C%29C7CCC65C%29C4CC3%28C%29C%29C%28O%29C2O%29OC%28C%29C%28O%29C1O%29OC1OC%28C%29C%28O%29C%28O%29C1O could not be loaded.
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