Delphinidin 3,5-di(6-O-malonylglucoside)
PubChem CID: 73157738
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| Compound Synonyms | Delphinidin 3,5-di(6-O-malonylglucoside) |
|---|---|
| Topological Polar Surface Area | 367.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Inchi Key | YUUVWWMPUDXXPV-UHFFFAOYSA-O |
| Rotatable Bond Count | 15.0 |
| Synonyms | Delphinidin 3-(6''-malonylglucoside)-5-malonylglucoside, Delphinidin 3,5-di(6-O-malonylglucoside), Delphinidin 3,5-di(6''-malonylglucoside) |
| Heavy Atom Count | 56.0 |
| Compound Name | Delphinidin 3,5-di(6-O-malonylglucoside) |
| Description | Isolated from chicory (Chicorium intybus). Delphinidin 3,5-di(6''-malonylglucoside) is found in chicory, herbs and spices, and green vegetables. |
| Exact Mass | 799.157 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 799.157 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1360.0 |
| Hydrogen Bond Acceptor Count | 22.0 |
| Molecular Weight | 799.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[[6-[3-[6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H34O23/c34-11-3-15-12(16(4-11)53-32-29(48)27(46)25(44)18(55-32)8-50-22(41)6-20(37)38)5-17(31(52-15)10-1-13(35)24(43)14(36)2-10)54-33-30(49)28(47)26(45)19(56-33)9-51-23(42)7-21(39)40/h1-5,18-19,25-30,32-33,44-49H,6-9H2,(H5-,34,35,36,37,38,39,40,43)/p+1 |
| Smiles | C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C33H35O23+ |
- 1. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:fooddb_chem_all