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CAS 392274-22-5 Oxyresveratrol 2-O-β-D-glucopyranoside molecular structure lightbox
CAS RN: 392274-22-5

Oxyresveratrol 2-O-β-D-glucopyranoside

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Batch No.PackageAvailabilityInquiry
Batchno.20251108 10mg Out of stock Inquiry
  • Product code: starshine_CAS392274-22-5
  • Purity/Analytical Methods: >99.0%
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392274-22-5 / (2S,3R,4S,5S,6R)-2-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 392274-22-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
392274-22-5
Multi CAS
Yes
Molecular Formula
C20H22O9
Molecular Weight
406.400000
Exact Mass
406.126382
InChI
InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-8-12(22)4-3-11(15)2-1-10-5-13(23)7-14(24)6-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
InChIKey
UPUMEBJDZQEUFC-CUYWLFDKSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
7
Molar refractivity
101.2
TPSA
160.07

LogP / Solubility

WLOGP
0.15
MLOGP
0.16
XLogP3
1
Consensus LogP
0.44
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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