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CAS 34298-85-6 Emodin 6-O-β-D-glucoside molecular structure lightbox
CAS RN: 34298-85-6

Emodin 6-O-β-D-glucoside

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251222 1mg In stock Inquiry
Batchno.20260215 25mg In stock Inquiry
Batchno.20251222 5mg In stock Inquiry
  • Product code: starshine_CAS34298-85-6
  • Purity/Analytical Methods: >99.0%
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34298-85-6 / 1,8-dihydroxy-3-methyl-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione

Standard CAS: 34298-85-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34298-85-6
Multi CAS
Yes
Molecular Formula
C21H20O10
Molecular Weight
432.400000
Exact Mass
432.105647
InChI
InChI=1S/C21H20O10/c1-7-2-9-14(11(23)3-7)18(27)15-10(16(9)25)4-8(5-12(15)24)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17+,19+,20-,21+/m1/s1
InChIKey
UBVJENDWBOVRBS-FHTSYUTFSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
6
Molar refractivity
102.21
TPSA
173.98

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.54
XLogP3
0.9
Consensus LogP
-0.09
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-5.81

Drug-likeness / Medicinal Chemistry

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

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