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CAS 154418-16-3 5,5′-Dimethoxylariciresil 4-O-glucoside molecular structure lightbox
CAS RN: 154418-16-3

5,5′-Dimethoxylariciresil 4-O-glucoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS154418-16-3
  • Purity/Analytical Methods: >99.0%
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154418-16-3 / 2-[4-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 154418-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154418-16-3
Multi CAS
No
Molecular Formula
C28H38O13
Molecular Weight
582.600000
Exact Mass
582.231241
SMILES
COC1=CC(=CC(=C1O)OC)CC2COC(C2CO)C3=CC(=C(C(=C3)OC)OC4C(C(C(C(O4)CO)O)O)O)OC
InChI
InChI=1S/C28H38O13/c1-35-17-6-13(7-18(36-2)22(17)31)5-15-12-39-26(16(15)10-29)14-8-19(37-3)27(20(9-14)38-4)41-28-25(34)24(33)23(32)21(11-30)40-28/h6-9,15-16,21,23-26,28-34H,5,10-12H2,1-4H3
InChIKey
OSPNTYPNEPEMIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
11
H-bond acceptors
13
H-bond donors
6
Molar refractivity
141.61
TPSA
185.99

LogP / Solubility

WLOGP
0.14
MLOGP
0.17
XLogP3
0.5
Consensus LogP
0.27
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly 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)
-6.17

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

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