Cyanidin-3-(2′′-xylose-6-glucose-galactoside)
precursor
Showing entry for Cyanidin-3-(2′′-xylose-6-glucose-galactoside)
Identification
- PhytoHub ID
- PHUB002693
- Name
- Cyanidin-3-(2′′-xylose-6-glucose-galactoside)
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 743.643
- Monoisotopic Mass
- 743.202920076
- Chemical Formula
- C32H39O20
- IUPAC Name
- Not Available
- InChI Key
- NAGIWHJSMHJSTH-RQGLMVIFNA-O
- InChI Identifier
InChI=1/C32H38O20/c33-7-18-21(38)24(41)27(44)31(51-18)47-9-20-22(39)25(42)29(46-8-19-23(40)26(43)30(45)49-19)32(52-20)50-17-6-12-14(36)4-11(34)5-16(12)48-28(17)10-1-2-13(35)15(37)3-10/h1-6,18-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/p+1/t18-,19?,20-,21-,22+,23+,24+,25+,26-,27-,29-,30-,31-,32-/s2
- SMILES
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)[C@H](OCC3O[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
- Structure
Structure for Cyanidin-3-(2′′-xylose-6-glucose-galactoside)
Calculated Properties
- Solubility (ALOGPS)
- 3.05e+00 g/l
- LogS (ALOGPS)
- -2.41
- LogP (ALOGPS)
- -0.34
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Anthocyanins
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cyanidin-3-(2′′-xylose-6-glucose-galactoside) | Cyanidin-3-(2′′-xylose-6-glucose-galactoside) | human | plasma, urine | unchanged | 1h-3h | <20 nmol/L | <1% | C32H39O20 | 743.202920076 | Publications |