SMILES和InChIs
SMILES:
[C@H]1(C[C@H]([C@@H]2[C@@](C1)([C@H]1[C@]3(CC2)[C@H](C(=C)[C@@H](CC1)C3)O)C)C(=O)O)O[C@@H]1O[C@H]([C@H]([C@@H]([C@@H]1OC(=O)CC(C)C)OS(=O)(=O)[O-])OS(=O)(=O)[O-])CO.[Na+].[Na+]
Canonical SMILES:
OC[C@@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)[C@@H]3[C@](C2)(C)[C@@H]2CC[C@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@H]([C@H]([C@@H]1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC(=O)CC(C)C.[Na+].[Na+]
InChI:
InChI=1S/C30H46O16S2.2Na/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1
InChIKey:
NFANIWBAUMYKQE-FNAJZLPOSA-L