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CAS 340963-86-2 Araloside V molecular structure lightbox
CAS RN: 340963-86-2

Araloside V

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2 package records1 with current stock2 grade groups
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Batchno.20251201 5mg / 20mg Confirm by inquiry Shanghai Inquiry
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Batchno.20251224 10mg Out of stock Inquiry
  • Product code: starshine_CAS340963-86-2
  • Purity/Analytical Methods: >99.0%
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340963-86-2 / [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Standard CAS: 340963-86-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
340963-86-2
Multi CAS
Yes
Molecular Formula
C54H88O23
Molecular Weight
1105.300000
Exact Mass
1104.571639
InChI
InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25-,26-,27-,28-,29?,30-,31+,32-,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45+,46+,47+,51+,52-,53-,54+/m1/s1
InChIKey
MROYUZKXUGPCPD-FMGADNLDSA-N

Computed Properties

Structural Parameters

Heavy atom count
77
Fraction Csp3
0.94
Rotatable bonds
12
H-bond acceptors
23
H-bond donors
14
Molar refractivity
262.81
TPSA
374.13

LogP / Solubility

WLOGP
-2.04
MLOGP
-1.68
XLogP3
0.9
Consensus LogP
-0.94
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.59
Class (SILICOS-IT)
Insoluble

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)
-10.91

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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