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Ardisicrenoside A

CAT: 0804-HY-N8199-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N8199-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ardisicrenoside A exhibits anti-cancer activity[1].
CAS Number
160824-52-2
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ardisicrenoside-a.html
Purity
98.96
Solubility
10 mM in DMSO
Smiles
C[C@]12[C@]3(CC[C@@]4([H])[C@]2(CC[C@]5([H])[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@@H]9O[C@@H]([C@H]([C@@H]([C@H]9O)O)O)CO)C)C)[C@@]%10([H])[C@@]([C@@H](C1)O)(CC[C@@](C)(C%10)CO)CO3
Molecular Formula
C53H88O22
Molecular Weight
1077.25
References & Citations
[1]Li Bao, et al. Two new resorcinol derivatives with strong cytotoxicity from the roots of Ardisia brevicaulis Diels. Chem Biodivers. 2010 Dec;7 (12) :2901-7.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Ardisicrenoside A

ardisicrenoside A has been reported in Labisia pumila, Ardisia mamillata, and other organisms with data available.

CAS Number160824-52-2
PubChem CID10260582
IUPAC Name(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(3S,4S,5R,6S)-4-hydroxy-6-[[(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-2-hydroxy-20-(hydroxymethyl)-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular FormulaC53H88O22
Molecular Weight1077.3
XLogP-0.5
Topological Polar Surface Area346
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count22
Rotatable Bond Count11
Heavy Atom Count75
Formal Charge0
Complexity2020
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CO[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@@]6([C@H]7CC[C@@]89[C@@H]1C[C@@](CC[C@]1(CO8)[C@@H](C[C@]9([C@@]7(CC[C@H]6C5(C)C)C)C)O)(C)CO)C)CO)O)O)O)O)O
InChI
InChI=1S/C53H88O22/c1-23-32(58)36(62)39(65)43(69-23)75-42-38(64)34(60)25(19-55)71-46(42)72-26-20-67-45(41(35(26)61)74-44-40(66)37(63)33(59)24(18-54)70-44)73-31-10-11-49(5)27(47(31,2)3)8-12-50(6)28(49)9-13-53-29-16-48(4,21-56)14-15-52(29,22-68-53)30(57)17-51(50,53)7/h23-46,54-66H,8-22H2,1-7H3/t23-,24+,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,48-,49-,50+,51-,52+,53-/m0/s1
InChIKey
LTTSWSWZQNISIB-LLEYBADXSA-N
Chemical Structure
2D Structure
2D structure of Ardisicrenoside A
CAS: 160824-52-2
CID: 10260582
Formula: C53H88O22
MW: 1077.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1077.3
XLogP3-0.5
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count22
Rotatable Bond Count11
Exact Mass1076.57672443
Monoisotopic Mass1076.57672443
Topological Polar Surface Area346 Ų
Heavy Atom Count75
Formal Charge0
Complexity2020
Isotope Atom Count0
Defined Atom Stereocenter Count30
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19182054-01Ardisicrenoside A
TBZ30132Ardisicrenoside C

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