1.0 2010-04-08 22:13:50 UTC 2019-11-26 03:16:25 UTC FDB018630 alpha-Crocetin glucosyl ester Isolated from saffron [DFC]. alpha-Crocetin glucosyl ester is found in saffron and herbs and spices. (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 C26H34O9 490.5428 490.220282686 (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,4,6,8,10,12,14-heptaenoic acid (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,4,6,8,10,12,14-heptaenoic acid 58050-17-2 C\C(\C=C\C=C(\C)C(O)=O)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O 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+ ZVGODNZUEWDIPM-VOQICLRJSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic heteromonocyclic compounds Acetals Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Heterocyclic fatty acids Hexoses Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Methyl-branched fatty acids Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Saccharolipids Secondary alcohols Sugar acids and derivatives Unsaturated fatty acids Acetal Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Diterpenoid Enoate ester Fatty acid ester Fatty acyl Heterocyclic fatty acid Hexose monosaccharide Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Methyl-branched fatty acid Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Saccharolipid Secondary alcohol Sugar acid Unsaturated fatty acid logp 3.37 ALOGPS logs -4.29 ALOGPS solubility 2.54e-02 g/l ALOGPS melting_point 61.8 oC logp 2.37 ChemAxon pka_strongest_acidic 4.95 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,4,6,8,10,12,14-heptaenoic acid ChemAxon average_mass 490.5428 ChemAxon mono_mass 490.220282686 ChemAxon smiles C\C(\C=C\C=C(\C)C(O)=O)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C26H34O9 ChemAxon 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+ ChemAxon inchikey ZVGODNZUEWDIPM-VOQICLRJSA-N ChemAxon polar_surface_area 153.75 ChemAxon refractivity 136.23 ChemAxon polarizability 54.17 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25283 Specdb::CMs 46267 Specdb::CMs 151368 Specdb::MsMs 70980 Specdb::MsMs 70981 Specdb::MsMs 70982 Specdb::MsMs 129552 Specdb::MsMs 129553 Specdb::MsMs 129554 Specdb::MsMs 2418834 Specdb::MsMs 2418835 Specdb::MsMs 2418836 Specdb::MsMs 2544226 Specdb::MsMs 2544227 Specdb::MsMs 2544228 HMDB39120 #<Reference:0x000055ce32c0c578> Herbs and Spices Unknown generic Saffron Type 1 specific Crocus sativus 82528