Gniditrin
FEATURES
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NAMES
  • Gniditrin
SMILES
C=C(C)C12OC3(c4ccccc4)OC1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4C1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/C=C/CCC
InChI
InChI=1S/C37H42O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-19,23,25,27,29-32,38,41-42H,2,6-7,20H2,1,3-5H3/b9-8+,11-10+,18-15+/t23-,25-,27+,29-,30+,31?,32-,33+,34-,35?,36?,37?/m1/s1
MOLECULAR FORMULA
C37H42O10
CROSS REFERENCES
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Gniditrin
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight646.28
AlogP3.32
HBond donors3
HBond acceptors10
Atoms89
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Gniditrin.