Bacoside A

CAT: 1596-AR-B05743-05Size: 150Dry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-B05743-05Size:150

Selected

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

Quick Request Actions

CAS Number

11028-00-5

Synonyms

BACOSIDE A (SH) ;3-[ (O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl) oxy]-19,20-dihydroxydammar-24-en-16-one; Dammar-24-en-16-one,3-[ (O-R-Larabinopyranosyl- â-D-glucopyranosyl) oxy]-19, - 20-dihydroxy-

Molecular Formula

C41H68O13

Molecular Weight

769

API Name

Bacoside

Chemical Information

Bacoside A

Bacoside a is a triterpenoid saponin.

CAS Number	11028-00-5
PubChem CID	92043183
IUPAC Name	(5R,8R,9S,10S,13R,14R,17S)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Molecular Formula	C41H68O13
Molecular Weight	769.0
XLogP	2.8
Topological Polar Surface Area	216
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	10
Heavy Atom Count	54
Formal Charge	0
Complexity	1390

SMILES

CC(=CCC[C@@](C)([C@@H]1[C@H]2CC[C@H]3[C@]([C@@]2(CC1=O)C)(CC[C@@H]4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)O)O)CO)C)O)C

InChI

InChI=1S/C41H68O13/c1-21(2)9-8-14-40(7,50)29-22-10-11-27-38(5,39(22,6)17-23(29)44)15-12-26-37(3,4)28(13-16-41(26,27)20-43)53-36-33(49)31(47)34(25(18-42)52-36)54-35-32(48)30(46)24(45)19-51-35/h9,22,24-36,42-43,45-50H,8,10-20H2,1-7H3/t22-,24+,25-,26+,27+,28?,29-,30+,31-,32-,33-,34-,35+,36+,38-,39-,40+,41-/m1/s1

InChIKey

LKCTWIIDXXXXAR-CYGHALRTSA-N

Chemical Structure

2D Structure

CAS: 11028-00-5

CID: 92043183

Formula: C41H68O13

MW: 769.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	769.0
XLogP3	2.8
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	10
Exact Mass	768.46599222
Monoisotopic Mass	768.46599222
Topological Polar Surface Area	216 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1390
Isotope Atom Count	0
Defined Atom Stereocenter Count	17
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-B01011-01	Bacopaside X
AR-B05598-01	Bacopaside I
AR-B05599-01	Bacopaside II
AR-B05916-01	Bacopaside Impurity 3
AR-B05915-01	Bacopaside Impurity 2
AR-B05914-01	Bacopaside Impurity 1

Alternative Products

Catalog	Name
M34688-01	Bacoside A
HY-N1989A-01	Bacoside A (mixture)
MBS5760168	Bacoside A3
GTR19221969-01	Bacoside A1
MBS5800866	Bacoside A2
HY-N5064R	Bacoside A3 (Standard)

Bacoside A

Chemical Information

Related Products

Alternative Products

Popular Products