Crocin

bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

Also Known As: Crocin|Gardenia Yellow|Crocin I|alpha-Crocin|Crocine|Crocin 1|Saffron|Crocin A|CrocinI|trans-Crocin|crocin-1|Crocin 4|Gardenia|Gardenin|.alpha.-crocin|trans-Crocin-4|saffron(natural)|Crocetin digentiobiose ester|trans-crocin 4|Crocin-I|Natural red 1|Natural yellow 6|Natural yellow 19|crocetin digentiobioside|trans-4-GG|crocetin di-gentiobiose ester|bis-gentiobiosyl-crocetin|Crocetin bis(gentiobiosyl) ester|CROCIN [WHO-DD]|Crocin - microscopy grade|crocetin digentiobiosyl ester|PEG-4 Oleyl ether phosphate|Crocin (Gardenia Fruits Extract)|EINECS 255-881-6

Molecular Formula	C44H64O24
Molecular Weight	976.3787 g/mol
LogP	-5.2252
Topological Polar Surface Area	391.2 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	24
Rotatable Bonds	18
Exact Mass	976.3787
Monoisotopic Mass	976.3787
Heavy Atoms	68
Complexity	1728.4502

Chemical Identifiers

CAS Number	11012-59-2
SMILES	C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C