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Neoastilbin

Neoastilbin structure

CAS No:
54081-47-9
Formula:
C21H22O11
Chemical Name:
Neoastilbin
Synonyms:
4H-1-Benzopyran-4-one,3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-,(2S,3S)-;4H-1-Benzopyran-4-one,3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-,(2S-trans)-;(2S,3S)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one;Neoastilbin;Neosmitilbin;(-)-(2S,3S)-Dihydroquercetin 3-O-α-L-rhamnoside;(2S,3S)-Astilbin;452962-93-5
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Neoastilbin is a flavanone glycoside that is (-)-taxifolin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. It is an alpha-L-rhamnoside, a member of 3'-hydroxyflavanones, a tetrahydroxyflavanone, a monosaccharide derivative, a flavanone glycoside and a member of 4'-hydroxyflavanones. It derives from a (-)-taxifolin. It is an enantiomer of an astilbin.

Neoastilbin Basic Attributes

Molecular Weight：

450.4 g/mol

Exact Mass：

450.39

DSSTox ID：

DTXSID20331828

Characteristics

PSA：

186 Å²

Melting Point：

176-177 °C

Drug Information

MeSH Entry Terms：

neoastilbin

Computed Properties

Molecular Weight:450.4
XLogP3:0.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:3
Exact Mass:450.11621151
Monoisotopic Mass:450.11621151
Topological Polar Surface Area:186
Heavy Atom Count:32
Complexity:676
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes