alpha-Crocetin glucosyl ester
PubChem CID: 131752552
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| Compound Synonyms | alpha-Crocetin glucosyl ester, Crocetin glucosyl ester, CHEBI:191699, 8,8'-Diapo-psi,psi-carotenedioic acid mono-beta-D-glucopyranosyl ester, (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid |
|---|---|
| Topological Polar Surface Area | 154.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | ZVGODNZUEWDIPM-VOQICLRJSA-N |
| Rotatable Bond Count | 11.0 |
| Synonyms | (all-E)-Crocetin glucosyl ester, (all-E)-Crocetin Mono-b-D-glucopyranosyl ester, 8,8'-Diapo-psi,psi-carotenedioic acid mono-beta-D-glucopyranosyl ester, all-trans-Crocetin glucosyl ester, alpha-Crocetin glucosyl ester, Crocetin glucosyl ester |
| Heavy Atom Count | 35.0 |
| Compound Name | alpha-Crocetin glucosyl ester |
| Description | Isolated from saffron [DFC]. alpha-Crocetin glucosyl ester is found in saffron and herbs and spices. |
| Exact Mass | 490.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 490.22 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 950.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 490.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 7.0 |
| Inchi | InChI=1S/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10-,18-13-,19-14+ |
| Smiles | C/C(=C\C=C\C=C(\C)/C=C/C=C(\C)/C(=O)OC1C(C(C(C(O1)CO)O)O)O)/C=C/C=C(/C)\C(=O)O |
| Xlogp | 3.6 |
| Defined Bond Stereocenter Count | 7.0 |
| Molecular Formula | C26H34O9 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all