Gypenoside XLIX

CAT: 1568-C14024Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1568-C14024Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

94987-08-3

SKU

C14024-1mg

Target

PPAR

Applications

DNA Damage/DNA Repair

Smiles

CC1C (C (C (C (O1) OC2C (C (COC2OC3CCC4 (C5CCC6C (CCC6 (C5 (CCC4C3 (C) C) C) C) C (CCC=C (C) C) (COC7C (C (C (C (O7) CO) O) O) O) O) C=O) O) OC8C (C (C (CO8) O) O) O) O) O) O

Molecular Formula

C52H86O21

Additionnal Information

Gypenoside XLIX, a naturally occurring gynosaponin, is a selective peroxisome proliferator-activated receptor (PPAR) -alpha activator.

Storage Conditions

3 years -20°C powder

Chemical Information

gypenoside XLIX

Gypenoside XLIX has been reported in Gynostemma pentaphyllum with data available.

CAS Number	94987-08-3
PubChem CID	16007240
IUPAC Name	(3S,5S,8R,9S,10S,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Formula	C52H86O21
Molecular Weight	1047.2
XLogP	0.4
Topological Polar Surface Area	334
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	15
Heavy Atom Count	73
Formal Charge	0
Complexity	1910

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H](CC[C@]6([C@@]5(CC[C@H]4C3(C)C)C)C)[C@@](CCC=C(C)C)(CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C=O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O

InChI

InChI=1S/C52H86O21/c1-24(2)9-8-15-52(65,23-68-45-40(63)38(61)36(59)30(19-53)70-45)27-12-16-49(6)26(27)10-11-32-50(49,7)17-13-31-48(4,5)33(14-18-51(31,32)22-54)71-47-43(73-46-41(64)37(60)34(57)25(3)69-46)42(29(56)21-67-47)72-44-39(62)35(58)28(55)20-66-44/h9,22,25-47,53,55-65H,8,10-21,23H2,1-7H3/t25-,26+,27-,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39+,40+,41+,42-,43+,44-,45+,46-,47-,49+,50+,51+,52+/m0/s1

InChIKey

AFEVCSJFNQWWDF-AZFNEDKCSA-N

Chemical Structure

2D Structure

CAS: 94987-08-3

CID: 16007240

Formula: C52H86O21

MW: 1047.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1047.2
XLogP3	0.4
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	15
Exact Mass	1046.56615975
Monoisotopic Mass	1046.56615975
Topological Polar Surface Area	334 Å²
Heavy Atom Count	73
Formal Charge	0
Complexity	1910
Isotope Atom Count	0
Defined Atom Stereocenter Count	27
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
C03535-5mg	Gypenoside A
C03535	Gypenoside A
C03526-5mg	Gypenoside XLVI
C04555	Gypenoside LXXV
C03526	Gypenoside XLVI
C14053-1mg	Gypenoside XVII
C03553-100mg	Gypenoside L
C14053	Gypenoside XVII
C04555-1mg	Gypenoside LXXV
C03553-25mg	Gypenoside L

Alternative Products

Catalog	Name
300392	Gypenoside XLIX
HY-N1990R	Gypenoside XLIX (Standard)
371527	Gypenoside XLIX discontinued
583075	Polygalasaponin XLIX
BUP16402-01	Gypenoside A

Gypenoside XLIX

Chemical Information

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