Asparagoside A

CAT: 0013-GTR19248431-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19248431-02Size:50 mg

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Description

Asparagoside A, a steroidal saponin from Asparagus officinalis roots, demonstrates cytotoxic activity against tumor cell lines in vitro, supporting its investigation in cancer research, particularly in studies of apoptosis and cell proliferation.

CAS Number

14835-43-9

Smiles

C[C@@]12[C@@]3 ([C@@] (O[C@@]4 ([C@H]3C) CC[C@H] (C) CO4) (C[C@]1 ([C@]5 ([C@] (CC2) ([C@]6 (C) [C@] (CC5) (C[C@@H] (O[C@@H]7O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]7O) CC6) [H]) [H]) [H]) [H]) [H]) [H]

Molecular Formula

C33H54O8

Molecular Weight

578.777

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(25S)-5beta-spirostan-3beta-yl beta-D-glucoside

(25S)-5beta-spirostan-3beta-yl beta-D-glucoside is a sterol 3-beta-D-glucoside and a monosaccharide derivative. It is functionally related to a (25S)-5beta-spirostan-3beta-ol.

CAS Number	14835-43-9
PubChem CID	440454
IUPAC Name	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
Molecular Formula	C33H54O8
Molecular Weight	578.8
XLogP	4.9
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	41
Formal Charge	0
Complexity	979

SMILES

C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)OC1

InChI

InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1

InChIKey

ZNEIIZNXGCIAAL-TXUJEBAWSA-N

Chemical Structure

2D Structure

CAS: 14835-43-9

CID: 440454

Formula: C33H54O8

MW: 578.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	578.8
XLogP3	4.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	578.38186868
Monoisotopic Mass	578.38186868
Topological Polar Surface Area	118 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	979
Isotope Atom Count	0
Defined Atom Stereocenter Count	17
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
HY-N15407	Asparagoside A

Asparagoside A

Chemical Information

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