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Gagunin B
FEATURES
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NAMES
  • Gagunin B
SMILES
CCCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)C(C)=C[C@@H]2[C@H]3[C@@H](C(C)C)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@@]3(C)[C@@H](OC(=O)CCC)C[C@]21C
InChI
InChI=1S/C38H60O11/c1-11-15-26(40)46-25-20-37(9)24(19-22(7)32(44)34(45-23(8)39)35(37)48-28(42)17-13-3)31-30(21(5)6)33(47-27(41)16-12-2)36(38(25,31)10)49-29(43)18-14-4/h19,21,24-25,30-36,44H,11-18,20H2,1-10H3/t24-,25+,30-,31+,32+,33-,34+,35-,36+,37-,38+/m1/s1
MOLECULAR FORMULA
C38H60O11
CROSS REFERENCES
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Gagunin B

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 692.41
AlogP 6.02
HBond donors 1
HBond acceptors 11
Atoms 109
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 Gagunin B.