carbomycin Report issue

Small molecule Experimental
MeSH PubChem

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Chemistry

Mol. Mass

841.99

ALogP

2.43

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@@H]2O[C@@H]2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
  • InChIKey: FQVHOULQCKDUCY-PRPXPMGXSA-N
    InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29+,30-,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989435   ChEMBL
carbomycin

3952621T3O   NCATS
carbomycin *

Carbomycin   Wikipedia

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