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Chemistry

Mol. Mass

653.64

ALogP

1.73

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](Oc3cccc4c(O)c5C(=O)Oc6ccc(C)c7C(=O)Oc(c5c67)c34)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O
  • InChIKey: MGQRRMONVLMKJL-KWJIQSIXSA-N
    InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2106409   ChEMBL
elsamitrucin

Elsamitrucin   Wikipedia

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