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39524-08-8

39524-08-8 structural image
Product Name: Akebia saponin D
Formula: C47H76O18
Synonyms: Akebia saponin D;Asperosaponin VI;ASD;3-O-α-L-arabinopyranosyl hederagenin-28-β-D-glucopyranoside-(1→6)-β-D-glucopyranoside;Leiyemudanoside A
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 929.1 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 11
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 10
Exact Mass 928.50316557 g/mol
Monoisotopic Mass 928.50316557 g/mol
Topological Polar Surface Area 295 Ų
Heavy Atom Count 65
Formal Charge 0
Complexity 1770
Isotope Atom Count 0
Defined Atom Stereocenter Count 23
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Akebia saponin D is a triterpenoid saponin that is hederagenin attached to a alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage and a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl residue at position 28 via an ester linkage. It is the active ingredient found in the traditional Chinese herb Radix Dipsaci. It has a role as an apoptosis inducer, an antineoplastic agent, a plant metabolite, an anti-inflammatory agent, a bone density conservation agent, a neuroprotective agent and an antilipemic drug. It is a triterpenoid saponin, a trisaccharide derivative, a pentacyclic triterpenoid and a carboxylic ester. It is functionally related to a hederagenin.