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20-gluco-ginsenoside Rf

CAT: 1407-AB3125Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1407-AB3125Size:10 mg
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CAS Number
68406-27-9
Purity
98% (HPLC)
Molecular Formula
C48H82O19
Molecular Weight
963.15

Chemical Information

20-Glucoginsenoside Rf

ginsenoside-Rd has been reported in Panax japonicus, Gynostemma pentaphyllum, and other organisms with data available.

CAS Number68406-27-9
PubChem CID24721561
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC48H82O19
Molecular Weight963.2
XLogP1.1
Topological Polar Surface Area318
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Heavy Atom Count67
Formal Charge0
Complexity1720
SMILES
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C
InChI
InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)64-42)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-43-39(36(59)33(56)27(20-51)65-43)66-41-37(60)34(57)31(54)25(18-49)63-41/h10,22-43,49-61H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1
InChIKey
FBFMBWCLBGQEBU-RXMALORBSA-N
Chemical Structure
2D Structure
2D structure of 20-Glucoginsenoside Rf
CAS: 68406-27-9
CID: 24721561
Formula: C48H82O19
MW: 963.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight963.2
XLogP31.1
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Exact Mass962.54503038
Monoisotopic Mass962.54503038
Topological Polar Surface Area318 Ų
Heavy Atom Count67
Formal Charge0
Complexity1720
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes