thiocolchicoside Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

563.63

ALogP

0.75

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2
  • InChIKey: LEQAKWQJCITZNK-MSQQGMGVSA-N
    InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16?,19-,22-,23+,24-,27-/m1/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1705373   ChEMBL
thiocolchicoside

Thiocolchicoside   Wikipedia

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