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CAS 144525-40-6 Oxyresveratrol 3′-O-β-D-glucopyranoside molecular structure lightbox
CAS RN: 144525-40-6

Oxyresveratrol 3′-O-β-D-glucopyranoside

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260623 1mg Out of stock Inquiry
Batchno.20251031 5mg Out of stock Inquiry
  • Product code: starshine_CAS144525-40-6
  • Purity/Analytical Methods: >99.0%
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144525-40-6 / (2S,3R,4S,5S,6R)-2-[3-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 144525-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144525-40-6
Multi CAS
No
Molecular Formula
C20H22O9
Molecular Weight
406.400000
Exact Mass
406.126382
SMILES
C1=CC(=C(C=C1O)O)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-14-6-10(5-13(23)7-14)1-2-11-3-4-12(22)8-15(11)24/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
InChIKey
GGQVPULXXVQLRT-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
0.7
Consensus LogP
0.34
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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