Showing entry for Resveratrol-glucoside-phosphate-glycerol
Identification
- PhytoHub ID
- PHUB001496
- Name
- Resveratrol-glucoside-phosphate-glycerol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 544.446
- Monoisotopic Mass
- 544.134577992
- Chemical Formula
- C23H29O13P
- IUPAC Name
- [(2R,3S,4S,5R)-6-{4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy(2,3-dihydroxypropoxy)phosphinic acid
- InChI Key
- HHGVITMJFMWHCT-MYCDQIJASA-N
- InChI Identifier
InChI=1S/C23H29O13P/c24-10-17(27)11-33-37(31,32)34-12-19-20(28)21(29)22(30)23(36-19)35-18-5-3-13(4-6-18)1-2-14-7-15(25)9-16(26)8-14/h1-9,17,19-30H,10-12H2,(H,31,32)/b2-1+/t17?,19-,20-,21+,22-,23?/m1/s1
- SMILES
[H]C(O)(CO)COP(O)(=O)OC[C@@]1([H])OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.90e-01 g/l
- LogS (ALOGPS)
- -3.27
- LogP (ALOGPS)
- -0.08
- Hydrogen Acceptors
- 11
- Hydrogen Donors
- 8
- Rotatable Bond Count
- 11
- Polar Surface Area
- 215.82999999999996
- Refractivity
- 127.2099
- Polarizability
- 52.19023804656847
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.9689647678483606
- pKa (strongest acidic)
- 1.8908325638864545
External Links
No external links
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Resveratrol (trans-) | Polyphenols | Stilbenes | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Resveratrol (trans-) | Resveratrol-glucoside-phosphate-glycerol | B. cereus - NCTR 466 (in vitro) | Not Available | C23H29O13P | 544.134577992 | Publications |