oridonin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 359
Total Number of Articles : 287
PubChem 166639039
Molecular Formula

C20H28O6

SMILES

CC1(CC[C@@H]([C@]23[C@@H]1[C@@H](C(C45C2CCC([C@@H]4O)C(=C)C5=O)(OC3)O)O)O)C

InChI

InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10?,11?,12-,13+,15-,16-,18+,19?,20?/m0/s1

synonyms
  • Oridonin
  • 28957-04-2
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Properties
Property Value
MW 364.4 g/mol
HBD 4
HBA 6
Rotatable Bond Count 0
Exact Mass 364.18858861 g/mol
Monoisotopic Mass 364.18858861 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 717
xlogp 0.1
Topological Polar Surface Area 107