Sandosaponin B

CAT: 0931-T34511Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T34511Size:25 mg

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

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CAS Number

192062-55-8

Target

Others

Related Pathways

Others

Bioactivity

Sandosaponin B is a olean-12-ene-type triterpene oligoglycoside isolated from kidney bean, the seed of Phaseolus vulgaris L.

Smiles

[H][C@@]12CC(C)(C)C[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@](C)(C=O)[C@]3([H])CC[C@@]12C |t:17|

Molecular Formula

C48H76O19

Molecular Weight

957.117

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Sandosaponin B

Sandosaponin B has been reported in Phaseolus vulgaris with data available.

CAS Number	192062-55-8
PubChem CID	177385
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-formyl-9-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Molecular Formula	C48H76O19
Molecular Weight	957.1
XLogP	1.7
Topological Polar Surface Area	312
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	10
Heavy Atom Count	67
Formal Charge	0
Complexity	1870

SMILES

C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)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)CO)O)O)O

InChI

InChI=1S/C48H76O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,20,22-38,40-42,49-50,52-59H,9-19H2,1-7H3,(H,60,61)/t22-,23+,24+,25+,26+,27+,28-,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1

InChIKey

WIHKYILMSPQBIM-BKQVBUAGSA-N

Chemical Structure

2D Structure

CAS: 192062-55-8

CID: 177385

Formula: C48H76O19

MW: 957.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	957.1
XLogP3	1.7
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	10
Exact Mass	956.49808019
Monoisotopic Mass	956.49808019
Topological Polar Surface Area	312 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1870
Isotope Atom Count	0
Defined Atom Stereocenter Count	25
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TBZ0822	Sandosaponin A
TBZ0823	Sandosaponin B

Sandosaponin B

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