Pinoresinol diglucoside

CAT: 0931-T6S0535-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T6S0535-01Size:5 mg

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CAS Number

63902-38-5

Target

Glucosidase

Related Pathways

Metabolism

Purity

0.999

Bioactivity

1. Pinoresinol diglucoside (Pinoresinol Diglucopyranoside) is a putative α-glucosidase inhibiting compound. 2. Pinoresinol diglucoside is a important antihypertensive compound.

Smiles

COc1cc(ccc1OC1OC(CO)C(O)C(O)C1O)C1OCC2C1COC2c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1

Molecular Formula

C32H42O16

Molecular Weight

682.67

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Pinoresinol diglucoside

Pinoresinol diglucoside is a glycoside and a lignan.

CAS Number	63902-38-5
PubChem CID	174003
IUPAC Name	(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C32H42O16
Molecular Weight	682.7
XLogP	-1.3
Topological Polar Surface Area	236
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	10
Heavy Atom Count	48
Formal Charge	0
Complexity	947

SMILES

COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

InChI

InChI=1S/C32H42O16/c1-41-19-7-13(3-5-17(19)45-31-27(39)25(37)23(35)21(9-33)47-31)29-15-11-44-30(16(15)12-43-29)14-4-6-18(20(8-14)42-2)46-32-28(40)26(38)24(36)22(10-34)48-32/h3-8,15-16,21-40H,9-12H2,1-2H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1

InChIKey

ZJSJQWDXAYNLNS-FUPWJLLWSA-N

Chemical Structure

2D Structure

CAS: 63902-38-5

CID: 174003

Formula: C32H42O16

MW: 682.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	682.7
XLogP3	-1.3
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	10
Exact Mass	682.24728525
Monoisotopic Mass	682.24728525
Topological Polar Surface Area	236 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	947
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
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
TN5415	(±) -Pinoresinol
TN2080-01	Pinoresinol
TN2079-01	(-) -Pinoresinol
TN4793	Pinoresinol diacetate
T3S0488-01	Syringaresinol diglucoside
T3415-01	Secoisolariciresinol diglucoside
T131589-01	Pinoresinol, Di-Acetate
T2S0531-01	Pinoresinol dimethyl ether
TN3286	8-Hydroxypinoresinol diglucoside
T82588-01	Delphinidin 3-diglucoside

Alternative Products

Catalog	Name
MBS385642-01	Pinoresinol diglucoside
371823	Pinoresinol diglucoside discontinued

Pinoresinol diglucoside

Chemical Information

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