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SL 0101-1

CAT: 0024-sc-204287CSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-204287CSize:50 mg
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CAS Number
77307-50-7

Chemical Information

Kaempferol 3-(3'',4''-diacetylrhamnoside)

5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4h-Chromen-3-Yl 3,4-Di-O-Acetyl-6-Deoxy-Alpha-L-Mannopyranoside has been reported in Zingiber officinale and Zingiber spectabile with data available.

CAS Number77307-50-7
PubChem CID10459196
IUPAC Name[(2S,3S,4S,5R,6S)-4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate
Molecular FormulaC25H24O12
Molecular Weight516.4
XLogP2.4
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity909
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1
InChIKey
SXOZSDJHGMAEGZ-IGKKHSBFSA-N
Chemical Structure
2D Structure
2D structure of Kaempferol 3-(3'',4''-diacetylrhamnoside)
CAS: 77307-50-7
CID: 10459196
Formula: C25H24O12
MW: 516.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.4
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass516.12677620
Monoisotopic Mass516.12677620
Topological Polar Surface Area178 Ų
Heavy Atom Count37
Formal Charge0
Complexity909
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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