(1S,2R,18R,19S,22S,34S,37S,40R,52S)-2-[(2R,3R,4S,5R,6R)-6-carboxy-4,5-dihydroxy-3-[(1-hydroxy-7-methyloctylidene)amino]oxan-2-yl]oxy-5,15,32,43,65-pentachloro-18,21,26,31,35,38,47,49,54,56,59-undecahydroxy-22-(methylamino)-64-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-44-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid

化合物标识与属性

CAS

137053-20-4

PubChem CID

139588916

SMILES

CC(C)CCCCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H](O[C@H]1O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C(=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8Cl)Cl)O[C@@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)CO)O)O)O)OC1=C(C=C(C=C1)[C@H]([C@H]1C(=O)N[C@@H](C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@@H](C(=O)N1)NC)O)O)Cl)C(=O)N6)O)Cl)Cl)O[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)O)C(=O)O)O)O

Canonical SMILES

CN[C@@H]1C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@@H]3C(=O)N[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)cc(O)c5-c5cc4cc(Cl)c5O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]4NC(=O)CCCCCC(C)C)c4cc(Cl)c(c(Cl)c4)Oc4cc3cc(c4O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)Oc3ccc(cc3Cl)[C@H]2O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O