NP-MRD: Showing NP-Card for [(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate (NP0193389)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-04 10:48:30 UTC

Updated at

2022-09-04 10:48:30 UTC

NP-MRD ID

NP0193389

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

Description

[(2R,3R,4S,5R,6R)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. [(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate is found in Picrorhiza kurrooa. Based on a literature review very few articles have been published on [(2R,3R,4S,5R,6R)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate.

Structure

MOL SDF PDB SMILES InChI

View in JSmol

Synonyms

Value	Source
[(2R,3R,4S,5R,6R)-3,5-Bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetic acid	Generator

Chemical Formula

C₃₇H₄₈O₂₁

Average Mass

828.7700 Da

Monoisotopic Mass

828.26881 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

RGYKXVDDEDXCHM-PRZFNYAESA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Picrorhiza kurrooa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
Tyrosol derivative
Phenol ester
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Oxane
Carboxylic acid ester
Acetal
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Ether
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Not Available

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162997320

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate (NP0193389)

MOL for NP0193389 ([(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate)

3D MOL for NP0193389 ([(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate)

3D SDF for NP0193389 ([(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate)

3D-SDF for NP0193389 ([(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate)

PDB for NP0193389 ([(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate)

3D PDB for NP0193389 ([(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate)

SMILES for NP0193389 ([(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate)

INCHI for NP0193389 ([(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate)

Structure for NP0193389 ([(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate)

3D Structure for NP0193389 ([(2r,3r,4s,5r,6r)-3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate)