Withanolides

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 58
Total Number of Articles : 59
PubChem 11049407
Molecular Formula

C28H40O8

SMILES

CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@H]([C@@]5([C@@]4(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/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1

synonyms
  • Withanolide S
  • Withanolides
  • 63139-16-2
Click to show/hide the synonyms
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