![CAS 23202-85-9 (3R,4S)-3-[[4-(β-D-Glucopyranosyloxy)-3-methoxyphenyl]methyl]-4,5-dihydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]furan-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23202-85-9.gif)
CAS RN: 23202-85-9
(3R,4S)-3-[[4-(β-D-Glucopyranosyloxy)-3-methoxyphenyl]methyl]-4,5-dihydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]furan-2(3H)-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260206 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS23202-85-9
- Purity/Analytical Methods: >99.0%
23202-85-9 / 4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
Basic Information
CAS
23202-85-9
Multi CAS
No
Molecular Formula
C26H32O11
Molecular Weight
520.500000
Exact Mass
520.194462
SMILES
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O
InChI
InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1
InChIKey
AAGCATAPYOEULE-LHHMAMHXSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
11
H-bond donors
5
Molar refractivity
127.4
TPSA
164.37
LogP / Solubility
WLOGP
0.16
MLOGP
0.18
XLogP3
1.5
Consensus LogP
0.61
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
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)
-5.78
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
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