SMILES和InChIs
SMILES:
CC(C)CCCCCCCC/C=C\C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)NC(=O)C)C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)n1ccc(=O)[nH]c1=O)O)O)O)O)O
Canonical SMILES:
OC[C@@H]1O[C@@H](O[C@@H]2O[C@H](C[C@H]([C@H]3O[C@H]([C@@H]([C@@H]3O)O)n3ccc(=O)[nH]c3=O)O)[C@@H]([C@@H]([C@H]2NC(=O)/C=C\CCCCCCCCC(C)C)O)O)[C@H]([C@@H]([C@H]1O)O)NC(=O)C
InChI:
InChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/t20-,21-,22+,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+/m1/s1
InChIKey:
YJQCOFNZVFGCAF-LFOPQCCSSA-N