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Cauloside A

CAT: 0013-GTR19236936-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236936-03Size:10 mg
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Description
Cauloside A exhibits concentration- and time-dependent mitochondriotoxic activities.
CAS Number
17184-21-3
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (165.34 mM)
Molecular Formula
C35H56O8
Molecular Weight
604.81
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Cauloside A

Hederagenin 3-O-arabinoside is a triterpenoid saponin that is hederagenin attached to an alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid, an alpha-L-arabinopyranoside, a triterpenoid saponin and a monosaccharide derivative. It is functionally related to a hederagenin. It derives from a hydride of an oleanane.

CAS Number17184-21-3
PubChem CID441928
IUPAC Name(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular FormulaC35H56O8
Molecular Weight604.8
XLogP4.7
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count43
Formal Charge0
Complexity1150
SMILES
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O
InChI
InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22-,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1
InChIKey
QUBNLZCADIYAFW-RITZIESXSA-N
Chemical Structure
2D Structure
2D structure of Cauloside A
CAS: 17184-21-3
CID: 441928
Formula: C35H56O8
MW: 604.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.8
XLogP34.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass604.39751874
Monoisotopic Mass604.39751874
Topological Polar Surface Area137 Ų
Heavy Atom Count43
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N3557-01Cauloside A
T10689-01Cauloside D
T124562-01Cauloside G
300057Cauloside F
MBS5754669Cauloside C

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