Withanolides

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 58
Total Number of Articles : 59
PubChem 329485
Molecular Formula

C28H40O8

SMILES

CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)O)O)O)C

InChI

InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3

synonyms
  • Withanolides
  • 63139-16-2
  • 2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
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Properties
Property Value
MW 504.6 g/mol
HBD 5
HBA 8
Rotatable Bond Count 2
Exact Mass 504.27231823 g/mol
Monoisotopic Mass 504.27231823 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 1080
xlogp 0.8
Topological Polar Surface Area 145