cucurbitacin B

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 109
Total Number of Articles : 72
PubChem 5281316
Molecular Formula

C32H46O8

SMILES

CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O

InChI

InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1

synonyms
  • Cucurbitacin B
  • 6199-67-3
  • Datisca principle B
Click to show/hide the synonyms
Properties
Property Value
MW 558.7 g/mol
HBD 3
HBA 8
Rotatable Bond Count 6
Exact Mass 558.31926842 g/mol
Monoisotopic Mass 558.31926842 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 1210
xlogp 2.6
Topological Polar Surface Area 138