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Ginsenoside V

CAT: 0013-GTR19243047-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243047-01Size:10 mg
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Description
Ginsenoside V is a natural compound used in life sciences research. Studies indicate its application in both in vitro and in vivo models for investigating biological activities such as anti-inflammatory and neuroprotective effects.
CAS Number
1395101-76-4
Smiles
C[C@]12[C@@]3 (C) [C@@] ([C@@] ([C@@] (O[C@@H]4O[C@H] (CO[C@@H]5O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]5O) [C@@H] (O) [C@H] (O) [C@H]4O) (CC[C@H] (C (C) =C) O) C) (CC3) [H]) ([C@H] (O) C[C@@]1 ([C@]6 (C) [C@@] (CC2) (C (C) (C) [C@@H] (O[C@H]7[C@H] (O[C@@H]8O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]8O) [C@@H] (O) [C@H] (O) [C@@H] (CO) O7) CC6) [H]) [H]) [H]
Molecular Formula
C54H92O24
Molecular Weight
1125.00
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ginsenoside V
CAS Number1395101-76-4
PubChem CID176419474
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S,5R)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-6-methylhept-6-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC54H92O24
Molecular Weight1125.3
XLogP-0.7
Topological Polar Surface Area398
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count24
Rotatable Bond Count17
Heavy Atom Count78
Formal Charge0
Complexity2020
SMILES
CC(=C)[C@@H](CC[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@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C54H92O24/c1-22(2)24(58)10-16-54(8,78-48-44(70)40(66)37(63)29(75-48)21-71-46-42(68)38(64)34(60)26(18-55)72-46)23-9-14-53(7)33(23)25(59)17-31-51(5)13-12-32(50(3,4)30(51)11-15-52(31,53)6)76-49-45(41(67)36(62)28(20-57)74-49)77-47-43(69)39(65)35(61)27(19-56)73-47/h23-49,55-70H,1,9-21H2,2-8H3/t23-,24+,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1
InChIKey
VEHGXAYGFVYFPO-GJXAEJTASA-N
Chemical Structure
2D Structure
2D structure of ginsenoside V
CAS: 1395101-76-4
CID: 176419474
Formula: C54H92O24
MW: 1125.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1125.3
XLogP3-0.7
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count24
Rotatable Bond Count17
Exact Mass1124.59785380
Monoisotopic Mass1124.59785380
Topological Polar Surface Area398 Ų
Heavy Atom Count78
Formal Charge0
Complexity2020
Isotope Atom Count0
Defined Atom Stereocenter Count31
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes