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Deglucocyclamin
FEATURES
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NAMES
  • Deglucocyclamin
SMILES
CC1(C)[C@@H](O[C@@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]23OC[C@@]4(CC[C@](C)(C=O)C[C@H]42)[C@H](O)C[C@]31C
InChI
InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24+,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,47-,48-,49+,50-,51+,52-/m0/s1
MOLECULAR FORMULA
C52H84O22
CROSS REFERENCES
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Deglucocyclamin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1060.55
AlogP -1.89
HBond donors 12
HBond acceptors 22
Atoms 158
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Deglucocyclamin.