CAS RN: 147764-93-0
Jasamplexoside A
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.20251219 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS147764-93-0
- Purity/Analytical Methods: >99.0%
147764-93-0 / methyl (5Z)-5-(2-hydroxyethylidene)-4-[2-[(2Z)-2-[4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Basic Information
CAS
147764-93-0
Multi CAS
No
Molecular Formula
C42H54O24
Molecular Weight
942.900000
Exact Mass
942.300503
SMILES
COC(=O)C1=COC(/C(=C\CO)/C1CC(=O)OC/C=C\2/C(C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CC(=O)OCCC4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O
InChI
InChI=1S/C42H54O24/c1-57-37(55)25-17-61-39(65-41-35(53)33(51)31(49)27(15-44)63-41)21(7-10-43)23(25)13-30(48)60-12-9-22-24(14-29(47)59-11-8-19-3-5-20(46)6-4-19)26(38(56)58-2)18-62-40(22)66-42-36(54)34(52)32(50)28(16-45)64-42/h3-7,9,17-18,23-24,27-28,31-36,39-46,49-54H,8,10-16H2,1-2H3/b21-7-,22-9-
InChIKey
KWDIYLNMBHQVAM-PKDKHEEESA-N
Computed Properties
Structural Parameters
Heavy atom count
66
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
18
H-bond acceptors
24
H-bond donors
10
Molar refractivity
212.84
TPSA
362.88
LogP / Solubility
WLOGP
-3.66
MLOGP
-3.13
XLogP3
-3.8
Consensus LogP
-3.53
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
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)
-11.07
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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