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CAS 340982-22-1 Congmunoside VII molecular structure lightbox
CAS RN: 340982-22-1

Congmunoside VII

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5 package records4 with current stock2 grade groups
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Batchno.20250717 5mg / 20mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS340982-22-1
  • Purity/Analytical Methods: >99.0%
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340982-22-1 / [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-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-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Standard CAS: 340982-22-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
340982-22-1
Multi CAS
Yes
Molecular Formula
C54H88O24
Molecular Weight
1121.300000
Exact Mass
1120.566554
InChI
InChI=1S/C54H88O24/c1-49(2)13-15-54(48(70)78-46-41(69)38(66)34(62)27(20-57)73-46)16-14-52(5)23(24(54)17-49)7-8-30-50(3)11-10-31(51(4,22-59)29(50)9-12-53(30,52)6)75-47-43(77-45-40(68)37(65)33(61)26(19-56)72-45)42(35(63)28(21-58)74-47)76-44-39(67)36(64)32(60)25(18-55)71-44/h7,24-47,55-69H,8-22H2,1-6H3/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1
InChIKey
UGNSVPOBELCKQM-YIVQLCEFSA-N

Computed Properties

Structural Parameters

Heavy atom count
78
Fraction Csp3
0.94
Rotatable bonds
13
H-bond acceptors
24
H-bond donors
15
Molar refractivity
264.22
TPSA
394.36

LogP / Solubility

WLOGP
-3.06
MLOGP
-2.58
XLogP3
-0.3
Consensus LogP
-1.98
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.97
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)
-11.73

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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