Asiaticoside

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name

Asiaticoside

DrugBank Accession Number

DB14081

Background

Not Available

Type

Small Molecule

Groups

Experimental

Structure

Similar Structures

Weight: Average: 959.133
Monoisotopic: 958.513730292
Chemical Formula: C₄₈H₇₈O₁₉

Synonyms

Asiaticosid

External IDs

BA 2742
BA-2742

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Pharmacology

Indication: Not Available
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Pharmacodynamics: Not Available
Mechanism of action: Not Available
Absorption: Not Available
Volume of distribution: Not Available
Protein binding: Not Available
Metabolism: Not Available
Route of elimination: Not Available
Half-life: Not Available
Clearance: Not Available
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Toxicity: Not Available
Pathways: Not Available
Pharmacogenomic Effects/ADRs: Not Available

Interactions

Drug Interactions: This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions: Not Available

Products

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International/Other Brands

Madecassol

Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End
Centella Scar Ylang Ylang	Asiaticoside (0.06 g/15g) + Asiatic acid (0.045 g/15g) + Madecassic acid (0.045 g/15g)	Ointment	Topical	NoTS Co.,Ltd	2016-12-01	2018-12-01
Dr.Different CICA Metal	Asiaticoside (0.012 g/100g) + Madecassoside (0.26 g/100g)	Cream	Topical	Dareun Cosmetics Co., Ltd.	2021-05-01	Not applicable
Karatica Im Cica Essence Pack	Asiaticoside (0.01 g/100mL) + Asiatic acid (0.01 g/100mL) + Madecassic acid (0.01 g/100mL) + Madecassoside (0.01 g/100mL)	Liquid	Topical	Karatica Co., Ltd	2019-08-17	Not applicable
Troiareuke Acsen Recovery	Asiaticoside (0.009 g/25mL) + Asiatic acid (0.008 g/25mL) + Madecassic acid (0.008 g/25mL)	Cream	Topical	Mk Universal Inc.	2018-05-01	2018-12-01

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End
Centella Scar Ylang Ylang	Asiaticoside (0.06 g/15g) + Asiatic acid (0.045 g/15g) + Madecassic acid (0.045 g/15g)	Ointment	Topical	NoTS Co.,Ltd	2016-12-01	2018-12-01
Dr.Different CICA Metal	Asiaticoside (0.012 g/100g) + Madecassoside (0.26 g/100g)	Cream	Topical	Dareun Cosmetics Co., Ltd.	2021-05-01	Not applicable
Karatica Im Cica Essence Pack	Asiaticoside (0.01 g/100mL) + Asiatic acid (0.01 g/100mL) + Madecassic acid (0.01 g/100mL) + Madecassoside (0.01 g/100mL)	Liquid	Topical	Karatica Co., Ltd	2019-08-17	Not applicable
Troiareuke Acsen Recovery	Asiaticoside (0.009 g/25mL) + Asiatic acid (0.008 g/25mL) + Madecassic acid (0.008 g/25mL)	Cream	Topical	Mk Universal Inc.	2018-05-01	2018-12-01

Chemical Identifiers

UNII: PKO39VY215
CAS number: 16830-15-2
InChI Key: WYQVAPGDARQUBT-FGWHUCSPSA-N
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
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]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (1S,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO

References

General References

Not Available

External Links

KEGG Drug: D07576
KEGG Compound: C15428
ChemSpider: 10128466
BindingDB: 23211
RxNav: 18405
ChEBI: 79928
ChEMBL: CHEMBL1684590
ZINC: ZINC000253529453

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Ointment	Topical
Liquid	Topical
Cream	Topical

Prices

Not Available

Patents

Not Available

Properties

State

Solid

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.798 mg/mL	ALOGPS
logP	0.73	ALOGPS
logP	-0.54	Chemaxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	11.75	Chemaxon
pKa (Strongest Basic)	-3.6	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	18	Chemaxon
Hydrogen Donor Count	12	Chemaxon
Polar Surface Area	315.21 Å²	Chemaxon
Rotatable Bond Count	10	Chemaxon
Refractivity	232.55 m³·mol^-1	Chemaxon
Polarizability	102.07 Å³	Chemaxon
Number of Rings	8	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05fr-0300900407-ede3f1d7fd214993048a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4r-0000400019-38e438575fcf67f77bd5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-052b-1911501855-3aa2499581deadfa7993
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0500111219-41b396d8e71edd5572f7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ab9-4910413313-8e5aa6c1b949b0519f1e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0cdr-1020900030-513eac72f7404d6b8019

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	283.6904492	predicted	DarkChem Lite v0.1.0

Drug created at June 17, 2018 22:08 / Updated at June 12, 2020 16:53

Asiaticoside

Identification

Structure for Asiaticoside (DB14081)

Pharmacology

Interactions

Products

Categories

Chemical Identifiers

References

Clinical Trials

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)