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CAS 26296-54-8 Physcion 8-o-beta-D-monoglucoside molecular structure lightbox
CAS RN: 26296-54-8

Physcion 8-o-beta-D-monoglucoside

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 10mg Out of stock Inquiry
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Batchno.20260323 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS26296-54-8
  • Purity/Analytical Methods: >99.0%
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26296-54-8 / 1-hydroxy-3-methoxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione

Standard CAS: 26296-54-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26296-54-8
Multi CAS
No
Molecular Formula
C22H22O10
Molecular Weight
446.400000
Exact Mass
446.121297
SMILES
CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)OC
InChI
InChI=1S/C22H22O10/c1-8-3-10-16(19(27)15-11(17(10)25)5-9(30-2)6-12(15)24)13(4-8)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1
InChIKey
WLXGUTUUWXVZNM-DQMLXFRHSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
107.1
TPSA
162.98

LogP / Solubility

WLOGP
-0.34
MLOGP
-0.27
XLogP3
1.2
Consensus LogP
0.2
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-5.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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