Kaempferol 3-O-galactoside 7-O-rhamnoside
precursor
Showing entry for Kaempferol 3-O-galactoside 7-O-rhamnoside
Identification
- PhytoHub ID
- PHUB000680
- Name
- Kaempferol 3-O-galactoside 7-O-rhamnoside
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 594.522
- Monoisotopic Mass
- 594.158470266
- Chemical Formula
- C27H30O15
- IUPAC Name
- 5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one
- InChI Key
- JYXSWDCPHRTYGU-VYARGGPUSA-N
- InChI Identifier
InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18-,20+,21-,22+,23+,26-,27-/m0/s1
- SMILES
C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
- Structure
Structure for Kaempferol 3-O-galactoside 7-O-rhamnoside
Calculated Properties
- Solubility (ALOGPS)
- 2.61e+00 g/l
- LogS (ALOGPS)
- -2.36
- LogP (ALOGPS)
- -0.18
- Hydrogen Acceptors
- 15
- Hydrogen Donors
- 9
- Rotatable Bond Count
- 6
- Polar Surface Area
- 245.28999999999994
- Refractivity
- 137.89529999999996
- Polarizability
- 57.260292289051996
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.6122003587144005
- pKa (strongest acidic)
- 7.083349784459057
- Number of Rings
- 5
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- Yes
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavonols
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| PR100945 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
| PR100946 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
| PR100947 | MassBank | LC-ESI-QTOF Spectrum - 30 V, unspecified | View Spectra |
| PR101000 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
| PR101001 | MassBank | LC-ESI-QTOF Spectrum - 30 V, unspecified | View Spectra |
| PR101010 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
| PR101011 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
| PR101054 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available