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Ginsenoside Rh2

CAT: 0926-FG65764-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FG65764-02Size:25 mg
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CAS Number
78214-33-2
MDL Number
MFCD00800712
Smiles
CC (=CCC[C@@] (C) ([C@H]1CC[C@@]2 ([C@@H]1[C@@H] (C[C@H]3[C@]2 (CC[C@@H]4[C@@]3 (CC[C@@H] (C4 (C) C) O[C@H]5[C@@H] ([C@H] ([C@@H] ([C@H] (O5) CO) O) O) O) C) C) O) C) O) C
Molecular Formula
C36H62O8
Molecular Weight
622.87 g/mol
Controlled
No

Chemical Information

Ginsenoside Rh2

(20S)-ginsenoside Rh2 is a ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. It has a role as an antineoplastic agent, a bone density conservation agent, a hepatoprotective agent, an apoptosis inducer, a plant metabolite and a cardioprotective agent. It is a beta-D-glucoside, a tetracyclic triterpenoid, a 12beta-hydroxy steroid, a 20-hydroxy steroid and a ginsenoside. It derives from a hydride of a dammarane.

CAS Number78214-33-2
PubChem CID119307
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC36H62O8
Molecular Weight622.9
XLogP5.6
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1070
SMILES
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O)C
InChI
InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1
InChIKey
CKUVNOCSBYYHIS-IRFFNABBSA-N
Chemical Structure
2D Structure
2D structure of Ginsenoside Rh2
CAS: 78214-33-2
CID: 119307
Formula: C36H62O8
MW: 622.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight622.9
XLogP35.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass622.44446893
Monoisotopic Mass622.44446893
Topological Polar Surface Area140 Ų
Heavy Atom Count44
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes