Yuanhuacin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 9
Total Number of Articles : 7
PubChem 6440205
Molecular Formula

C37H44O10

SMILES

CCCCC/C=C/C=C/C12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO

InChI

InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h10-19,23,25-26,28-30,32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,26+,28-,29+,30-,32-,33+,34?,35-,36+,37+/m1/s1

synonyms
  • Yuanhuacin
  • Gnidilatidin
  • Yuanhuacine
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Properties
Property Value
MW 648.7 g/mol
HBD 3
HBA 10
Rotatable Bond Count 11
Exact Mass 648.29344760 g/mol
Monoisotopic Mass 648.29344760 g/mol
Heavy Atom Count 47
Isotope Atom Count 0
Atom Stereo Count 12
Covalent Unit Count 1
Complexity 1410
xlogp 4.8
Topological Polar Surface Area 144