trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide
Showing entry for trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide
Identification
- PhytoHub ID
- PHUB001530
- Name
- trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 580.495
- Monoisotopic Mass
- 580.142820202
- Chemical Formula
- C26H28O15
- IUPAC Name
- Not Available
- InChI Key
- WCAPHBGQINUWGZ-DAFODLJHSA-N
- InChI Identifier
InChI=1S/C26H28O15/c27-11-7-10(14(13(28)8-11)21-17(31)15(29)18(32)22(40-21)24(35)36)4-1-9-2-5-12(6-3-9)39-26-20(34)16(30)19(33)23(41-26)25(37)38/h1-8,15-23,26-34H,(H,35,36)(H,37,38)/b4-1+
- SMILES
OC1C(OC2=CC=C(\C=C\C3=C(C4OC(C(O)C(O)C4O)C(O)=O)C(O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.59e+00 g/l
- LogS (ALOGPS)
- -2.56
- LogP (ALOGPS)
- 0.46
- Hydrogen Acceptors
- 15
- Hydrogen Donors
- 10
- Rotatable Bond Count
- 7
- Polar Surface Area
- 264.12999999999994
- Refractivity
- 132.453
- Polarizability
- 55.832046270815006
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -3.7319986496737405
- pKa (strongest acidic)
- 2.9011097359917954
External Links
No external links
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Piceid (trans-) | Polyphenols | Stilbenes | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Piceid (trans-) | trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide | human | plasma, urine | C26H28O15 | 580.142820202 | Publications |
trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide