(1S,2R,19R,22R,34S,37R,40R,52S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-22-amino-5,15-dichloro-26,31,44,49,64-pentahydroxy-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-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),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid

化合物标识与属性

CAS

93616-27-4

PubChem CID

176446665

SMILES

CC(=N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]3C(=N[C@@H](C4=C(C(=CC(=C4)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=C(C=CC(=C6)[C@H](C(=N3)O)N=C([C@H]7C8=CC(=C(C(=C8)OC9=C(C=C2C=C9)Cl)O)OC1=C(C=C(C[C@@H]2C(=N[C@@H](C3=CC(=CC(=C3)OC3=C(C=CC(=C3)[C@H](C(=N2)O)N)O)O)C(=N7)O)O)C=C1)Cl)O)O)C(=O)O)O)CO)O)O)O

Canonical SMILES

CC(O)=N[C@H]1[C@H](O[C@@H]2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C[C@H]3N=C(O)[C@H](N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)[C@H](N=C3O)C(O)=N[C@H]4C(O)=N[C@H]3C(O)=N[C@@H]2C(O)=N[C@H](C(=O)O)c2cc(O)cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c2-c2cc3ccc2O)O[C@H](CO)[C@@H](O)[C@@H]1O