Cyanidin 3-O-(6″-O-α-rhamnopyranosyl-β-galactopyranoside)
precursor
Showing entry for Cyanidin 3-O-(6″-O-α-rhamnopyranosyl-β-galactopyranoside)
Identification
- PhytoHub ID
- PHUB002690
- Name
- Cyanidin 3-O-(6″-O-α-rhamnopyranosyl-β-galactopyranoside)
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 595.529
- Monoisotopic Mass
- 595.165746718
- Chemical Formula
- C27H31O15
- IUPAC Name
- Not Available
- InChI Key
- USNPULRDBDVJAO-YSSHIYQNSA-O
- InChI Identifier
InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m1/s1
- SMILES
[H][C@]1(C)O[C@]([H])(OC[C@]2([H])O[C@]([H])(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O
- Structure
Structure for Cyanidin 3-O-(6″-O-α-rhamnopyranosyl-β-galactopyranoside)
Calculated Properties
- Solubility (ALOGPS)
- 9.72e-01 g/l
- LogS (ALOGPS)
- -2.81
- LogP (ALOGPS)
- 0.48
- 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-O-(6″-O-α-rhamnopyranosyl-β-galactopyranoside) | Cyanidin 3-O-(6″-O-α-rhamnopyranosyl-β-galactopyranoside) | human | plasma, urine | unchanged | No data | No data | Not Available | C27H31O15 | 595.165746718 | Publications |