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Asiaticoside

CAT: 0498-bs-75071C-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75071C-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16830-15-2
Conjugation
Unconjugated
Purity
>95% (NMR)
Buffer
Solid
Solubility
Soluble in ethanol, methanol or pyridine. Insoluble in water.
Smiles
[H][C@]12CC=C3C4[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)CCC1[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]21C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](OC3O[C@H](C)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Molecular Formula
C48H78O19
Molecular Weight
959.1
Storage Conditions
Stable for 2 years after receipt when stored at +4°C.
Appearance
White solid.

Chemical Information

Asiaticoside

Asiaticoside is a triterpenoid saponin that is a trisaccharide derivative of asiatic acid. Isolated from Centella asiatica, it exhibits anti-inflammatory, antioxidant and wound-healing properties. It has a role as an antioxidant, an antifibrotic agent, an antidepressant, an antineoplastic agent, a neuroprotective agent, an anti-inflammatory agent, a vulnerary and a plant metabolite. It is a pentacyclic triterpenoid, a carboxylic ester, a triterpenoid saponin and a trisaccharide derivative. It is functionally related to an asiatic acid.

CAS Number16830-15-2
PubChem CID11954171
IUPAC Name[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
Molecular FormulaC48H78O19
Molecular Weight959.1
XLogP0.1
Topological Polar Surface Area315
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count10
Heavy Atom Count67
Formal Charge0
Complexity1820
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O)O
InChI
InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1
InChIKey
WYQVAPGDARQUBT-FGWHUCSPSA-N
Chemical Structure
2D Structure
2D structure of Asiaticoside
CAS: 16830-15-2
CID: 11954171
Formula: C48H78O19
MW: 959.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight959.1
XLogP30.1
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count10
Exact Mass958.51373025
Monoisotopic Mass958.51373025
Topological Polar Surface Area315 Ų
Heavy Atom Count67
Formal Charge0
Complexity1820
Isotope Atom Count0
Defined Atom Stereocenter Count27
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
299956Asiaticoside
OM08291-01Asiaticoside A

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