Darendoside B

CAT: 0013-GTR19223647-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19223647-01Size:100 mg

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Description

Darendoside B is a novel phenethyl alcohol glycoside isolated from Scutellaria orientalis subsp. aerial parts. This small molecule is a research tool for phytochemical studies and has shown potential for in vitro investigation of its biological activities, including antioxidant and anti-inflammatory properties.

CAS Number

94410-28-3

Smiles

O ([C@@H]1[C@@H] (O) [C@H] (OCCC2=CC (O) =C (OC) C=C2) O[C@H] (CO) [C@H]1O) [C@H]3[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O3

Molecular Formula

C21H32O12

Molecular Weight

476.47

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Darendoside B

from Scutellaria orientalis subsp. pinnatifida; structure given in first source

CAS Number	94410-28-3
PubChem CID	192240
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Molecular Formula	C21H32O12
Molecular Weight	476.5
XLogP	-1.9
Topological Polar Surface Area	188
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	624

SMILES

CCO[C@H]1[C@]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)(C3=CC(=C(C=C3)OC)O)O

InChI

InChI=1S/C21H32O12/c1-4-30-20-21(28,10-5-6-12(29-3)11(23)7-10)18(15(25)13(8-22)32-20)33-19-17(27)16(26)14(24)9(2)31-19/h5-7,9,13-20,22-28H,4,8H2,1-3H3/t9-,13+,14-,15+,16+,17+,18-,19-,20+,21+/m0/s1

InChIKey

ZLPXZRZUFKQINJ-DDPVKAFRSA-N

Chemical Structure

2D Structure

CAS: 94410-28-3

CID: 192240

Formula: C21H32O12

MW: 476.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	476.5
XLogP3	-1.9
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	476.18937645
Monoisotopic Mass	476.18937645
Topological Polar Surface Area	188 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	624
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19228151-01	Darendoside A
GTR19009426	Tetrasialog. GQ1b, B.b.
GTR19009417	Monosialog. GM2, B.b.
GTR19009415	Monosialog. GM3, B.b.
GTR19009410	Disialog. GD1a, B.b.
GTR19009406	Disialog. GD2, B.b.
GTR19319500	Influenza B (B/Malaysia)
GTR19009424	Asialog. GM2, B.b.
GTR19009421	Asialog. GM1, B.b.
GTR19009419	Monosialog. GM1, B.b.

Alternative Products

Catalog	Name
MBS5791259	Darendoside A
T31205-01	Darendoside B

Darendoside B

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