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CAS 84687-45-6 Astragaloside VI molecular structure lightbox
CAS RN: 84687-45-6

Astragaloside VI

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Batchno.20251215 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS84687-45-6
  • Purity/Analytical Methods: >99.0%
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84687-45-6 / (2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-6-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 84687-45-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84687-45-6
Multi CAS
Yes
Molecular Formula
C47H78O19
Molecular Weight
947.100000
Exact Mass
946.513730
InChI
InChI=1S/C47H78O19/c1-41(2)26(64-40-35(28(52)21(51)18-60-40)65-39-34(58)32(56)30(54)24(17-49)63-39)9-11-47-19-46(47)13-12-43(5)36(45(7)10-8-27(66-45)42(3,4)59)20(50)15-44(43,6)25(46)14-22(37(41)47)61-38-33(57)31(55)29(53)23(16-48)62-38/h20-40,48-59H,8-19H2,1-7H3/t20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39-,40-,43+,44-,45+,46-,47+/m0/s1
InChIKey
FLPVEPQEIRRVKG-SXCMWBRFSA-N

Computed Properties

Structural Parameters

Heavy atom count
66
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
19
H-bond donors
12
Molar refractivity
226.37
TPSA
307.37

LogP / Solubility

WLOGP
-1.45
MLOGP
-1.19
XLogP3
-0.3
Consensus LogP
-0.98
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.81
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)
-9.53

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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