Identification

PhytoHub ID
PHUB000685
Name
Kaempferol 3-O-rhamnosyl-rhamnosyl-glucoside
Synonyms
Not Available
CAS Number
Not Available
Average Mass
740.6593
Monoisotopic Mass
740.216379098
Chemical Formula
C33H40O19
IUPAC Name
3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
InChI Key
WQRYALSJYYLFRY-YBDKOUSASA-N
InChI Identifier
InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)52-30-25(43)20(38)11(2)48-33(30)46-9-17-21(39)24(42)27(45)32(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24-,25+,26+,27+,30+,31-,32-,33+/m0/s1
SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O
Structure

Calculated Properties

Solubility (ALOGPS)
6.58e+00 g/l
LogS (ALOGPS)
-2.05
LogP (ALOGPS)
-0.12
Hydrogen Acceptors
19
Hydrogen Donors
11
Rotatable Bond Count
8
Polar Surface Area
304.21
Refractivity
169.0338
Polarizability
71.11514501575988
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6765067029860212
pKa (strongest acidic)
6.433889518395325
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavonols

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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