![CAS 53452-16-7 6-(2-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53452-16-7.gif)
CAS RN: 53452-16-7
6-(2-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260413 | 100mg | Out of stock | Inquiry | |
| Batchno.20251223 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250308 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250428 | 25mg | Out of stock | Inquiry | |
| Batchno.20250307 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250324 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250815 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS53452-16-7
- Purity/Analytical Methods: >99.0%
53452-16-7 / 6-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Basic Information
CAS
53452-16-7
Multi CAS
Yes
Molecular Formula
C32H38O19
Molecular Weight
726.600000
Exact Mass
726.200729
InChI
InChI=1S/C32H38O19/c33-7-17-23(40)26(43)30(51-31-27(44)21(38)14(37)9-46-31)29(49-17)20-13(36)6-16-19(24(20)41)12(35)5-15(48-16)10-1-3-11(4-2-10)47-32-28(45)25(42)22(39)18(8-34)50-32/h1-6,14,17-18,21-23,25-34,36-45H,7-9H2/t14-,17+,18+,21-,22+,23+,25-,26-,27+,28+,29-,30+,31-,32+/m0/s1
InChIKey
GYIKGLVKALOGDP-HLEFUGOVSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
16
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
19
H-bond donors
12
Molar refractivity
164.99
TPSA
319.12
LogP / Solubility
WLOGP
-3.97
MLOGP
-3.43
XLogP3
-3.1
Consensus LogP
-3.5
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately 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)
-9.97
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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