withanolide D

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 8
Total Number of Articles : 5
PubChem 161671
Molecular Formula

C28H38O6

SMILES

CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)C

InChI

InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1

synonyms
  • Withanolide D
  • 30655-48-2
  • XY366XV8JT
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Properties
Property Value
MW 470.6 g/mol
HBD 2
HBA 6
Rotatable Bond Count 2
Exact Mass 470.26683893 g/mol
Monoisotopic Mass 470.26683893 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 1030
xlogp 3.1
Topological Polar Surface Area 96.4