Pescaprein Xiv
FEATURES
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NAMES
  • pescaprein XIV
SMILES
CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCCC(=O)O[C@@H]3[C@@H]2O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChI
InChI=1S/C72H116O25/c1-10-12-14-15-16-17-21-25-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(95-69-58(82)62(60(45(8)86-69)93-67(83)41(3)4)90-51(75)40-39-47-33-28-26-29-34-47)46(9)88-72(66)94-59-44(7)87-71-64(57(59)81)91-49(73)37-31-24-22-19-18-20-23-30-36-48(35-27-13-11-2)89-70-63(96-71)55(79)53(77)43(6)85-70/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t42-,43+,44-,45-,46-,48-,52-,53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63+,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1
MOLECULAR FORMULA
C72H116O25
CROSS REFERENCES
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Pescaprein Xiv
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight1380.78
AlogP7.60
HBond donors7
HBond acceptors25
Atoms213
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Pescaprein Xiv.