652-78-8
Product Name:
GOSSYPIN
Formula:
C21H20O13
Synonyms:
2-(3,4-Dihydroxyphenyl)-8-(β-D-glucopyranosyloxy)-3,5,7-trihydroxy- 4H-1-benzopyran-4-one;3,3′,4′,5,7,8-Hexahydroxyflavone 8-glucoside;Gossypetin 8-glucoside
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 199.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. 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. |
COMPUTED DESCRIPTORS
| Molecular Weight | 480.4 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 4 |
| Exact Mass | 480.09039069 g/mol |
| Monoisotopic Mass | 480.09039069 g/mol |
| Topological Polar Surface Area | 227 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 789 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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
Gossypin is a glycosyloxyflavone that is gossypetin attached to a beta-D-glucopyranosyl residue at position 8 via a glycosidic linkage. It has a role as a neuroprotective agent and a plant metabolite. It is a 7-hydroxyflavonol, a pentahydroxyflavone, a glycosyloxyflavone and a monosaccharide derivative. It is functionally related to a gossypetin.