CAS RN: 945865-37-2
ParisyunnanosideB
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260404 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS945865-37-2
- Purity/Analytical Methods: >99.0%
945865-37-2 / (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,8S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Basic Information
CAS
945865-37-2
Multi CAS
Yes
Molecular Formula
C50H80O21
Molecular Weight
1017.200000
Exact Mass
1016.519210
InChI
InChI=1S/C50H80O21/c1-20(19-63-45-40(60)38(58)35(55)30(16-51)67-45)6-9-28-21(2)33-29(66-28)15-27-25-8-7-23-14-24(10-12-49(23,4)26(25)11-13-50(27,33)5)65-48-44(71-46-41(61)37(57)34(54)22(3)64-46)42(62)43(32(18-53)69-48)70-47-39(59)36(56)31(17-52)68-47/h7,20,22,24-27,29-48,51-62H,6,8-19H2,1-5H3/t20-,22-,24-,25+,26-,27-,29-,30+,31-,32+,33-,34-,35+,36-,37+,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48+,49-,50-/m0/s1
InChIKey
GPJHBUPSNWTUHE-VEWPCOCASA-N
Computed Properties
Structural Parameters
Heavy atom count
71
Fraction Csp3
0.92
Rotatable bonds
15
H-bond acceptors
21
H-bond donors
12
Molar refractivity
242.75
TPSA
325.83
LogP / Solubility
WLOGP
-1.42
MLOGP
-1.15
XLogP3
-0.9
Consensus LogP
-1.16
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
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)
-9.93
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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