SMILES和InChIs
SMILES:
C1([C@H]([C@@H](C([C@@H](O1)O[C@@H]1C(O[C@H](C[C@H]1OC(=O)C)O[C@@H]1C(O[C@H](C[C@H]1O)O[C@@H]1C(O[C@H](C[C@H]1O)OC1C[C@@H]2[C@](CC1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H](C1)O)([C@H](CC2)C1=CC(=O)OC1)C)O)C)C)C)C)O)O)O)CO
Canonical SMILES:
OCC1O[C@@H](O[C@@H]2C(C)O[C@H](C[C@H]2OC(=O)C)O[C@H]2[C@H](O)C[C@@H](OC2C)O[C@H]2[C@H](O)C[C@@H](OC2C)OC2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)C([C@H]([C@@H]1O)O)O
InChI:
InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21?,22?,23?,26-,27?,28-,29-,30+,31-,32-,33-,34?,35-,37+,38+,39+,40-,41-,42?,43-,44-,45-,46+,47+,48+,49+/m1/s1
InChIKey:
JAYAGJDXJIDEKI-FVBOYCDESA-N