Cyanidin 3-O-beta-(3''-O-beta-D-glucosyl-glucoside)
PubChem CID: 101710212
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| Compound Synonyms | Cyanidin 3-O-beta-(3''-O-beta-D-glucosyl-glucoside) |
|---|---|
| Topological Polar Surface Area | 260.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Inchi Key | YXBNLEZVGITYGW-SQLAXTICSA-O |
| Rotatable Bond Count | 7.0 |
| Synonyms | Cyanidin 3-laminaribioside, Cyanidin 3-O-beta-(3''-O-beta-D-glucosyl-glucoside) |
| Heavy Atom Count | 43.0 |
| Compound Name | Cyanidin 3-O-beta-(3''-O-beta-D-glucosyl-glucoside) |
| Kingdom | Organic compounds |
| Description | Isolated from red onions (Allium cepa). Cyanidin 3-laminaribioside is found in garden onion and onion-family vegetables. |
| Exact Mass | 611.161 |
| Formal Charge | 1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 611.161 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 899.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 611.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 10.0 |
| Nih Violation | True |
| Total Bond Stereocenter Count | 0.0 |
| Class | Flavonoids |
| Inchi | InChI=1S/C27H30O16/c28-7-17-19(34)21(36)22(37)26(41-17)43-25-20(35)18(8-29)42-27(23(25)38)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22-,23-,25+,26+,27-/m1/s1 |
| Smiles | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Flavonoid glycosides |
| Taxonomy Direct Parent | Anthocyanidin-3-O-glycosides |
| Molecular Formula | C27H31O16+ |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all