Ophiopogonin A

CAT: 0013-GTR19183254Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19183254Size:5 mg

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Description

Ophiopogonin A is a steroidal glycoside natural product derived from Ophiopogon japonicus. It is utilized in research for its potential anti-inflammatory and cardioprotective activities, as investigated in both cellular and animal models of disease.

CAS Number

11054-24-3

Field of Research

Cell Biology

Smiles

[H][C@]12C[C@@]3 ([H]) [C@]4 ([H]) CC=C5C[C@@H] (O) C[C@@H] (O[C@@H]6O[C@H] (C) [C@H] (O) [C@H] (O) [C@H]6O[C@@H]6O[C@@H] (C) [C@H] (O) [C@@H] (OC (C) =O) [C@H]6O) [C@]5 (C) [C@@]4 ([H]) CC[C@]3 (C) [C@@]1 ([H]) [C@H] (C) [C@@]1 (CC[C@@H] (C) CO1) O2 |t:8|

Molecular Formula

C41H64O13

Molecular Weight

764.95

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Ophiopogonin A

Ophiopogonin A is a steroid saponin.

CAS Number	11054-24-3
PubChem CID	46173858
IUPAC Name	[(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
Molecular Formula	C41H64O13
Molecular Weight	764.9
XLogP	3.1
Topological Polar Surface Area	183
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Heavy Atom Count	54
Formal Charge	0
Complexity	1440

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=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)OC(=O)C)O)C)C)C)OC1

InChI

InChI=1S/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3/t18-,19+,20-,21+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1

InChIKey

KSIVGTKSVYIZEB-GDUJLLAZSA-N

Chemical Structure

2D Structure

CAS: 11054-24-3

CID: 46173858

Formula: C41H64O13

MW: 764.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	764.9
XLogP3	3.1
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Exact Mass	764.43469209
Monoisotopic Mass	764.43469209
Topological Polar Surface Area	183 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1440
Isotope Atom Count	0
Defined Atom Stereocenter Count	22
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
GTR19221853	Ophiopogonone A
GTR19219168	Ophiopogonone C
GTR19260437-01	Ophiopogonone?C

Alternative Products

Catalog	Name
MBS5760733	Ophiopogonin A
300724	Ophiopogonin D
300723	Ophiopogonin B
T81602-01	Ophiopogonin R
HY-N3504-01	Ophiopogonin D'
RM-O212002-01	Ophiopogonin C

Ophiopogonin A

Chemical Information

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