Kaempferol 3-O-glucosyl-rhamnosyl-galactoside
precursor
Showing entry for Kaempferol 3-O-glucosyl-rhamnosyl-galactoside
Identification
- PhytoHub ID
- PHUB000681
- Name
- Kaempferol 3-O-glucosyl-rhamnosyl-galactoside
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 756.663
- Monoisotopic Mass
- 756.211293688
- Chemical Formula
- C33H40O20
- IUPAC Name
- 3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
- InChI Key
- MFIXKYXSBNIMPX-CHLFRWFTSA-N
- InChI Identifier
InChI=1S/C33H40O20/c1-10-19(38)29(52-32-25(44)23(42)20(39)16(8-34)50-32)27(46)31(48-10)47-9-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-14(37)6-13(36)7-15(18)49-28(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,29,31-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1
- SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 8.88e+00 g/l
- LogS (ALOGPS)
- -1.93
- LogP (ALOGPS)
- -0.59
- Hydrogen Acceptors
- 20
- Hydrogen Donors
- 12
- Rotatable Bond Count
- 9
- Polar Surface Area
- 324.44
- Refractivity
- 170.57750000000001
- Polarizability
- 71.34636137464915
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.678621634502947
- pKa (strongest acidic)
- 6.37234752867248
- Number of Rings
- 6
- 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 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
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available