Compound Name

SMILES String

CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O

OC[C@H]1O[C@@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O |r|

[H]C12[#6]-[#6@H]-3-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6](-[#6])=O)c6-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14C([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]-3=O |r,c:15,t:4,TLB:34:35:44.45:48.3.2,4:3:35:44.45,THB:5:35:44.45:48.3.2,49:48:35:44.45,45:1:5.4:36.48|

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C |wU:45.47,41.43,37.39,43.45,35.37,6.6,wD:2.1,39.41,50.53,c:33,t:3,35,54,(15.1,-5.61,;13.64,-5.11,;13.35,-3.6,;14.73,-2.92,;16.01,-3.78,;17.39,-3.1,;17.5,-1.56,;18.99,-1.94,;18.12,-.17,;16.98,.86,;15.65,.09,;15.97,-1.41,;16.45,-2.87,;14.32,.86,;12.94,.04,;14.28,-.72,;11.54,.83,;10.21,.05,;9.44,1.38,;9.43,2.92,;8.1,3.69,;8.09,5.23,;9.42,6,;9.42,7.54,;10.76,5.24,;10.76,3.7,;11.54,2.43,;10.16,1.76,;9.14,.62,;9.33,-.91,;7.86,1.48,;7.43,2.96,;6.47,.8,;6.37,-.73,;4.99,-1.41,;4.49,-2.87,;3.08,-2.24,;5.5,-4.03,;4.48,-5.18,;7.04,-4.13,;6.8,-5.65,;7.9,-2.85,;7.67,-1.33,;9.41,-2.56,;10.9,-2.2,;10.69,-3.42,;10.98,-4.93,;10.48,-6.38,;11.5,-7.54,;8.97,-6.68,;12.07,-2.74,;13.58,-2.44,;12.94,3.22,;12.96,4.76,;14.32,2.4,;15.65,3.17,;15.65,4.71,;16.98,2.4,;18.32,3.17,)|

COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 |t:4|

C[C@H]1CNCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12 |r|