| Phytochemical Name : Crocin |
| PCNDIDC0269 |
| Pubchem CID : 5281233 |
| Molecular formula: C44H64O24 |
| Canonical SMILES : CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O |
Synonymes : Crocin|Gardenia Yellow|Crocin I|alpha-Crocin|42553-65-1|94238-00-3|Crocine|Saffron|Crocin 1|Crocetin digentiobiose ester|.alpha.-crocin|Crocin A|crocin-1|CCRIS 678|CCRIS 7705|Crocetin bis(gentiobiosyl) ester|EINECS 255-881-6|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|BRN 6473367|UNII-F32BA2H92Z|crocetin di-gentiobiose ester|UNII-877GWI46C2|CHEMBL446785|DTXSID7046172|CHEBI:79068|HSDB 8211|all-trans-Crocetin di-beta-D-gentiobiosyl ester|877GWI46C2|EINECS 254-465-1|11012-59-2|NCGC00160471-01|trans-Crocetin di(beta-D-gentiobiosyl) ester|Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-psi,psi-carotenedioate|8,8'-Diapo-.psi.,.psi.-carotenedioic acid, bis(6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl) ester|8,8'-Diapo-psi,psi-carotenedioic acid, bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) ester|beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-, 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate)|crocetin digentiobiosyl ester|C44H64O24|Crocin-I|Natural red 1|C44-H64-O24|39465-00-4|Natural yellow 19|crocetin digentiobioside|CROCIN [INCI]|CROCIN [WHO-DD]|DTXCID201457|F32BA2H92Z|SCHEMBL1463936|Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-.psi.,.psi.-carotenedioate|bis(beta-D-gentiobiosyl) crocetin|HMS3887O07|Crocetin Di(Beta-Gentiobiosyl)Ester|HY-N0697|crocetin di-beta-D-gentiobiose ester|Tox21_111837|BDBM50260195|s9511|AKOS015896765|DB11874|NCGC00160471-02|LS-59589|LS-71090|CROCETIN DI-GENTIOBIOSE ESTER [MI]|CAS-42553-65-1|LS-190763|C.I. 75100|CS-0009714|trans-crocetin bis(beta-D-gentiobiosyl) ester|C08589|A872860|Q424767|TRANS-CROCETIN DI(.BETA.-D-GENTIOBIOSYL) ESTER|ALL-TRANS-CROCETIN DI-.BETA.-D-GENTIOBIOSYL ESTER|(2E,4E,6E,8E,10E,12E,14E)-Bis((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl) 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate|(2E,4E,6E,8E,10E,12E,14E)-Bis((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate|.BETA.-D-GLUCOPYRANOSE, 6-O-.BETA.-D-GLUCOPYRANOSYL-, 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-TETRAMETHYL-2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOATE)|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]oxy}methyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate|Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate)|bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate |
| Structure | |
| 3D structure | 2D structure |
![]() |
| Log Po/w (iLOGP) : 3.060 |
| Log Po/w (XLOGP3) : -2.490 |
| Log Po/w (WLOGP) : -5.230 |
| Log Po/w (MLOGP) : -5.680 |
| Log Po/w (SILICOS-IT) : -3.400 |
| Consensus Log Po/w : -2.750 |

