crocin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 209
Total Number of Articles : 152
PubChem 156907987
Molecular Formula

C44H64O24

SMILES

CC(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

InChI

InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10?,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1

synonyms
  • Saffron
  • Crocin
  • alpha-Crocin
Click to show/hide the synonyms
Properties
Property Value
MW 977.0 g/mol
HBD 14
HBA 24
Rotatable Bond Count 20
Exact Mass 976.37875290 g/mol
Monoisotopic Mass 976.37875290 g/mol
Heavy Atom Count 68
Isotope Atom Count 0
Atom Stereo Count 20
Covalent Unit Count 1
Complexity 1730
xlogp -2.5
Topological Polar Surface Area 391