| Predicate | Object |
|---|---|
| rdf:type | |
| chemicalCompound:synonym | |
| chemicalCompound:standardIn... |
InChI=1S/C70H97Cl2NO39/c1-24-15-31(75)16-32(76)40(24)61(84)101-36-22-95-70(57(82)53(36)94-23-74)109-37-21-93-63(46(80)52(37)110-70)107-65-56(91-13)45(79)51(35(102-65)20-88-10)105-64-47(81)55(50(89-11)27(4)98-64)106-66-58(83)68(9)60(30(7)99-66)111-69(112-68)18-33(77)48(28(5)108-69)103-38-17-34(100-39-19-67(8,73(86)87)59(92-14)29(6)97-39)49(26(3)96-38)104-62(85)41-25(2)42(71)44(78)43(72)54(41)90-12/h15-16,23,26-30,33-39,45-53,55-60,63-66,75-83H,17-22H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39+,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58-,59+,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1
|
| chemicalCompound:standardIn... |
NJTDGKBSSNFZHZ-NBZATOKKSA-N
|
| chemicalCompound:canonicalS... |
COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@H](OC=O)[C@H]4O)O[C@H]3[C@H]2O)[C@@H](OC)[C@@H](O)[C@@H]1O[C@@H]6O[C@H](C)[C@H](OC)[C@H](O[C@@H]7O[C@H](C)[C@H]8O[C@]9(C[C@@H](O)[C@H](O[C@H]%10C[C@@H](O[C@H]%11C[C@@](C)([C@@H](OC)[C@H](C)O%11)[N+](=O)[O-])[C@H](OC(=O)c%12c(C)c(Cl)c(O)c(Cl)c%12OC)[C@@H](C)O%10)[C@@H](C)O9)O[C@]8(C)[C@@H]7O)[C@H]6O
|
| chemicalCompound:molecularF... |
C70H97Cl2NO39
|
| chemicalCompound:moleculeId |
484331
|
| chemicalCompound:mwFreebase |
1647.41
|
| chemicalCompound:fullMwt |
1647.41
|
| chemicalCompound:chemblId |
CHEMBL443945
|
| chemicalCompound:maxPhase |
0
|
| chemicalCompound:therapeuti... |
0
|
| chemicalCompound:dosedIngre... |
No
|
| chemicalCompound:structureT... | |
| chemicalCompound:chebi | |
| chemicalCompound:moleculeTy... | |
| chemicalCompound:oral |
No
|
| chemicalCompound:parenteral |
No
|
| chemicalCompound:topical |
No
|
| chemicalCompound:blackBoxWa... |
No
|
| chemicalCompound:naturalPro... |
No
|
| chemicalCompound:proDrug |
No
|
| chemicalCompound:activity |