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Gukulenin A
FEATURES
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NAMES
  • GUKULENIN A
SMILES
CC(=O)O[C@@H](C=O)[C@]1(C)CC[C@H](C(C)C)[C@@H]1c1cc([C@]2(O)Cc3cc(O)c(=O)c(C)c4c3[C@@H](O2)[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H]42)cc(O)c(=O)c1C
InChI
InChI=1S/C42H54O10/c1-19(2)26-10-12-40(8,31(18-43)51-23(7)44)34(26)28-15-25(16-30(46)36(47)21(28)5)42(50)17-24-14-29(45)37(48)22(6)32-33(24)38(52-42)39(49)41(9)13-11-27(20(3)4)35(32)41/h14-16,18-20,26-27,31,34-35,38-39,49-50H,10-13,17H2,1-9H3,(H,45,48)(H,46,47)/t26-,27-,31+,34-,35-,38-,39+,40+,41-,42+/m1/s1
MOLECULAR FORMULA
C42H54O10
CROSS REFERENCES
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Gukulenin A

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 718.37
AlogP 5.71
HBond donors 4
HBond acceptors 10
Atoms 106
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 Gukulenin A.