troleandomycin (tao) Report issue

Small molecule Approved FDA
ChEMBL DrugBank Drug Central Drugs@FDA PubChem repoDB

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Chemistry

Mol. Mass

813.9684

ALogP

3.62

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]4(CO4)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O
  • InChIKey: LQCLVBQBTUVCEQ-QTFUVMRISA-N
    1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL564085   ChEMBL
troleandomycin

C4DZ64560D   NCATS
troleandomycin *

Troleandomycin   Wikipedia

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