Details of Brevilagin 1
IUPAC | (1S,3R,4R,21R,22S)-10,10,14,15,16,28,28,32,33,34-decahydroxy-3-(hydroxymethyl)-2,5,20,23,38-pentaoxaheptacyclo[19.17.0.04,22.07,12.013,18.025,30.031,36]octatriaconta-7,13,15,17,25,31,33,35-octaene-6,9,11,19,24,27,29,37-octone |
Canonical Smiles | C1=C2C(C3=C(C(=C(C=C3C(=O)OC4C5C(C(OC4OC(=O)C6=CC(=C(C(=C6C7C(=CC(=O)C(C7=O)(O)O)C(=O)O5)O)O)O)CO)OC2=O)O)O)O)C(=O)C(C1=O)(O)O |
Inchi | AYNMLAODZDEPLH-ZJMIEWIGSA-N |
PubChem ID | 157010026 |
Smiles | O=C1OC2C(CO)OC3OC(=O)c4cc(O)c(O)c(O)c4C4=C(CC(=O)C(O)(O)C4=O)C(=O)OC2C3OC(=O)c2cc(O)c(O)c(O)c2C2C(=O)C(O)(O)C(=O)C=C12 |
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