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Hydroxysaikosaponin A

CAT: 0931-TN8600-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8600-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
173559-73-4
Bioactivity
Hydroxysaikosaponin A is a natural product that can be used in related research in the field of life sciences. Its product number is TN8600.
Smiles
C[C@]12[C@@]3(C)C([C@]4([C@@](CO)([C@@H](O)C3)CCC(C)(C)C4)[H])=C[C@@H](O)[C@@]1([C@]5(C)[C@@](CC2)([C@@](CO)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@@H](C)O6)CC5)[H])[H]
Molecular Formula
C42H70O14
Molecular Weight
799
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hydroxysaikosaponin a

Hydroxysaikosaponin a has been reported in Bupleurum falcatum and Bupleurum scorzonerifolium with data available.

CAS Number173559-73-4
PubChem CID101690817
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC42H70O14
Molecular Weight799.0
XLogP1.9
Topological Polar Surface Area239
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count56
Formal Charge0
Complexity1480
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3[C@@H](C=C5[C@]4(C[C@@H]([C@@]6([C@H]5CC(CC6)(C)C)CO)O)C)O)C)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O
InChI
InChI=1S/C42H70O14/c1-20-28(48)33(56-35-31(51)30(50)29(49)24(17-43)54-35)32(52)36(53-20)55-27-9-10-38(4)25(39(27,5)18-44)8-11-40(6)34(38)23(46)14-21-22-15-37(2,3)12-13-42(22,19-45)26(47)16-41(21,40)7/h14,20,22-36,43-52H,8-13,15-19H2,1-7H3/t20-,22+,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34-,35+,36+,38+,39+,40-,41-,42-/m1/s1
InChIKey
WBZUTWKOBMHGCT-QQXQGMKQSA-N
Chemical Structure
2D Structure
2D structure of Hydroxysaikosaponin a
CAS: 173559-73-4
CID: 101690817
Formula: C42H70O14
MW: 799.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight799.0
XLogP31.9
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass798.47655690
Monoisotopic Mass798.47655690
Topological Polar Surface Area239 Ų
Heavy Atom Count56
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count21
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19242995-01Hydroxysaikosaponin A
GTR19218234-01Hydroxysaikosaponin C

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