Delphinidin 3-sophoroside-5-glucoside
PubChem CID: 74977047
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| Compound Synonyms | Delphinidin 3-sophoroside 5-glucoside, Delphinidin 5-glucoside 3-sophoroside, Delphinidin 3-sophoroside-5-glucoside, (2S,3R,5S)-2-((2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-(7-hydroxy-5-((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl)oxyoxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,5S)-2-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 2-(4,5-dihydroxy-6-(hydroxymethyl)-2-(7-hydroxy-5-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl)oxyoxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 360.0 |
| Hydrogen Bond Donor Count | 15.0 |
| Inchi Key | JKIDZSBNUJBLGC-UHFFFAOYSA-O |
| Rotatable Bond Count | 10.0 |
| Synonyms | Delphinidin 3-sophoroside-5-glucoside, Delphinidin 5-glucoside 3-sophoroside |
| Heavy Atom Count | 55.0 |
| Compound Name | Delphinidin 3-sophoroside-5-glucoside |
| Description | Isolated from peas and beans. Delphinidin 3-sophoroside 5-glucoside is found in pulses and common pea. |
| Exact Mass | 789.209 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 789.209 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1210.0 |
| Hydrogen Bond Acceptor Count | 21.0 |
| Molecular Weight | 789.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H40O22/c34-6-17-21(41)24(44)27(47)31(52-17)50-15-4-10(37)3-14-11(15)5-16(29(49-14)9-1-12(38)20(40)13(39)2-9)51-33-30(26(46)23(43)19(8-36)54-33)55-32-28(48)25(45)22(42)18(7-35)53-32/h1-5,17-19,21-28,30-36,41-48H,6-8H2,(H3-,37,38,39,40)/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)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C33H41O22+ |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all