Ardisiacrispin A

CAT: 0931-T3S2325-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T3S2325-01Size:1 mg

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

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CAS Number

23643-61-0

Target

HSV, Antibiotic

Related Pathways

Microbiology/Virology

Purity

0.9961

Bioactivity

Ardisiacrispin A (Deglucocyclamin) has cytotoxic activity toward HepG2 cancer cell with the GI (50) value of 1.56μM, it could inhibit the proliferation of Bel-7402 cells by inducing apoptosis and disassembling microtubule.Ardisiacrispin (A+B) exhibit prominent abilities to inhibit the proliferation of HL-60 cells by blocking the cell cycle at S phase and inducing apoptosis.

Smiles

[H][C@@]12C[C@](C)(CC[C@@]11CO[C@@]22CC[C@]3([H])[C@@]4(C)CC[C@H](O[C@]5([H])OC[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@]6([H])OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]2(C)C[C@H]1O)C=O

Molecular Formula

C52H84O22

Molecular Weight

1061.21

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ardisiacrispin A

Ardisiacrispin A has been reported in Androsace umbellata, Lysimachia patungensis, and other organisms with data available.

CAS Number	23643-61-0
PubChem CID	10328746
IUPAC Name	(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
Molecular Formula	C52H84O22
Molecular Weight	1061.2
XLogP	-1.1
Topological Polar Surface Area	343
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	11
Heavy Atom Count	74
Formal Charge	0
Complexity	2020

SMILES

C[C@@]1(CC[C@@]23CO[C@]4([C@@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C=O

InChI

InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24-,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,47+,48+,49-,50+,51-,52+/m1/s1

InChIKey

JXTOWLUQSHIIDP-VKKSEJOZSA-N

Chemical Structure

2D Structure

CAS: 23643-61-0

CID: 10328746

Formula: C52H84O22

MW: 1061.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1061.2
XLogP3	-1.1
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	11
Exact Mass	1060.54542430
Monoisotopic Mass	1060.54542430
Topological Polar Surface Area	343 Å²
Heavy Atom Count	74
Formal Charge	0
Complexity	2020
Isotope Atom Count	0
Defined Atom Stereocenter Count	29
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
N2811-25	Ardisiacrispin A
HY-N8198-01	Ardisiacrispin B
A14638-25	Ardisiacrispin A 25mg
A14638-10	Ardisiacrispin A 10mg
A14638-100	Ardisiacrispin A 100mg
A14638-50	Ardisiacrispin A 50mg
A14638-5	Ardisiacrispin A 5mg
A14638-1	Ardisiacrispin A 1mg

Ardisiacrispin A

Chemical Information

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