Cucurbitacins

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 60
Total Number of Articles : 42
PubChem 119287
Molecular Formula

C30H42O6

SMILES

C[C@H]1[C@H]2[C@@H](C[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4C=C(C(=O)C5(C)C)O)C)C)C)O[C@@H](CC1=O)C(C)(C)O

InChI

InChI=1S/C30H42O6/c1-15-18(31)12-23(27(4,5)35)36-20-13-28(6)21-10-9-16-17(11-19(32)25(34)26(16,2)3)30(21,8)22(33)14-29(28,7)24(15)20/h9,11,15,17,20-21,23-24,32,35H,10,12-14H2,1-8H3/t15-,17-,20-,21+,23+,24+,28+,29-,30+/m1/s1

synonyms
  • Cucurbitacin S
  • Cucurbitacins
  • 60137-06-6
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Properties
Property Value
MW 498.6 g/mol
HBD 2
HBA 6
Rotatable Bond Count 1
Exact Mass 498.29813906 g/mol
Monoisotopic Mass 498.29813906 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 1110
xlogp 3.2
Topological Polar Surface Area 101