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CAS 87585-32-8 (+)-Lyoniresinol 9′-O-glucoside molecular structure lightbox
CAS RN: 87585-32-8

(+)-Lyoniresinol 9′-O-glucoside

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250912 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS87585-32-8
  • Purity/Analytical Methods: >99.0%
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87585-32-8 / (2R,3R,4S,5S,6R)-2-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

Standard CAS: 87585-32-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87585-32-8
Multi CAS
Yes
Molecular Formula
C28H38O13
Molecular Weight
582.600000
Exact Mass
582.231241
InChI
InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1
InChIKey
PQQRNPDHSJDAGV-HQSXISOASA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
9
H-bond acceptors
13
H-bond donors
7
Molar refractivity
141.75
TPSA
196.99

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.08
XLogP3
0.2
Consensus LogP
-0.01
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-6.37

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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