2-(3,4-Dihydroxyphenyl)ethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside

Basic Information

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CAS Number

79916-77-1

Molecular Formula

C29H36O15

Molecular Weight

624.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Boiling Point

909.3°C at 760 mmHg

Solubility

Methanol,Water,DMSO,Acetontrile

SMILES

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CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O

InChI

InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1

InChIKey

DTOUWTJYUCZJQD-UJERWXFOSA-N

LogP

-1.0159

Topological Polar Surface Area

245.28999999999996 Å²

Hydrogen Bond Donor/Acceptor

9 / 15

Complexity

936

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

Q27106670
SureCN3318896
1ST001635
Forsythoside A
NCGC00180544-01
79916-77-1
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-
A854587
[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
OUH5BQ893P
[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
BRD-K62073009-001-01-6
UNII-OUH5BQ893P
NSC-729638
NSC729638
(2R,3S,4R,5R,6R)-6-(3,4-dihydroxyphenethoxy)-4,5-dihydroxy-2-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
HY-N0028
CS-0007097
CHEBI:5160
DTXSID801317212
NSC 729638
Q-100834
MEGxp0_001187
Forsythiaside A
.BETA.-D-GLUCOPYRANOSIDE, 2-(3,4-DIHYDROXYPHENYL)ETHYL 6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-, 4-(3-(3,4-DIHYDROXYPHENYL)-2-PROPENOATE), (E)-
ACon1_001402
Forsythiaside
BDBM50269517
AKOS015897128
AC1NQZ1W
SCHEMBL3318896

MDL Number

MFCD08460220

Customs Code

29389090

FAQ

What is 2-(3,4-Dihydroxyphenyl)ethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside (CAS: 79916-77-1)?

2-(3,4-Dihydroxyphenyl)ethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside (CAS: 79916-77-1) is a complex glycoside compound containing multiple hydroxyl and phenolic groups. It is characterized by its sugar backbone and aromatic substituents, which contribute to its potential biological activity. This compound is known for its structural complexity and is often studied in the context of natural products and medicinal chemistry.

What are the main uses of 2-(3,4-Dihydroxyphenyl)ethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside (CAS: 79916-77-1)?

This compound is primarily used in pharmaceutical research for its potential therapeutic properties. It may serve as a lead molecule for drug development, particularly in the treatment of neurological disorders or as an antioxidant. Additionally, it is studied in natural product chemistry due to its complex structure and possible bioactive functions, including anti-inflammatory and neuroprotective effects.

Is 2-(3,4-Dihydroxyphenyl)ethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside (CAS: 79916-77-1) safe?

The safety of 2-(3,4-Dihydroxyphenyl)ethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside (CAS: 79916-77-1) has not been extensively documented. As a complex natural compound, it is generally considered safe in controlled research settings, but proper handling and protective measures should be followed to minimize exposure risks. Further studies are needed to fully assess its safety profile.

How should 2-(3,4-Dihydroxyphenyl)ethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside (CAS: 79916-77-1) be stored?

This compound should be stored in a cool, dry place away from light and moisture. It is recommended to keep it in a sealed container at a temperature below 25°C. Due to its potential sensitivity to environmental factors, storage in a controlled environment is essential to maintain stability and prevent degradation.