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CAS 54835-76-6 Gardoside molecular structure lightbox
CAS RN: 54835-76-6

Gardoside

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Batchno.20250703 5mg Out of stock Inquiry
  • Product code: starshine_CAS54835-76-6
  • Purity/Analytical Methods: >99.0%
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54835-76-6 / (1S,4aS,6S,7aS)-6-hydroxy-7-methylidene-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

Standard CAS: 54835-76-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54835-76-6
Multi CAS
Yes
Molecular Formula
C16H22O10
Molecular Weight
374.340000
Exact Mass
374.121297
InChI
InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey
JSKCJJNYSGWZDU-RQJSCMEKSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
6
Molar refractivity
82.19
TPSA
166.14

LogP / Solubility

WLOGP
-2.32
MLOGP
-2.02
XLogP3
-2.5
Consensus LogP
-2.28
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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