TBC-1269
FEATURES
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NAMES
  • TBC-1269
SMILES
O=C(O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(-c4cccc(C(=O)O)c4)c3)ccc2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1
InChI
InChI=1S/C45H52O16/c46-22-34-37(50)39(52)41(54)44(60-34)58-32-15-13-24(18-30(32)27-10-5-9-26(17-27)20-36(48)49)7-3-1-2-4-8-25-14-16-33(31(19-25)28-11-6-12-29(21-28)43(56)57)59-45-42(55)40(53)38(51)35(23-47)61-45/h5-6,9-19,21,34-35,37-42,44-47,50-55H,1-4,7-8,20,22-23H2,(H,48,49)(H,56,57)/t34-,35-,37-,38-,39+,40+,41+,42+,44+,45+/m1/s1
MOLECULAR FORMULA
C45H52O16
CROSS REFERENCES
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TBC-1269
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight848.33
AlogP2.05
HBond donors10
HBond acceptors16
Atoms113
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TBC-1269.