![CAS 288143-27-1 Ophiogenin-3-O-α-L-rhaMnopyranosyl(1→2)[β-D-xylopyranosyl(1→3)]-β-D-glucopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/288143-27-1.png)
CAS RN: 288143-27-1
Ophiogenin-3-O-α-L-rhaMnopyranosyl(1→2)[β-D-xylopyranosyl(1→3)]-β-D-glucopyranoside
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250920 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS288143-27-1
- Purity/Analytical Methods: >99.0%
288143-27-1 / 2-[2-(2,8-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Basic Information
CAS
288143-27-1
Multi CAS
Yes
Molecular Formula
C44H70O18
Molecular Weight
887.000000
Exact Mass
886.456215
InChI
InChI=1S/C44H70O18/c1-19-8-13-43(56-17-19)21(3)44(54)28(62-43)15-42(53)25-7-6-22-14-23(9-11-40(22,4)24(25)10-12-41(42,44)5)58-39-36(61-38-34(52)32(50)29(47)20(2)57-38)35(31(49)27(16-45)59-39)60-37-33(51)30(48)26(46)18-55-37/h6,19-21,23-39,45-54H,7-18H2,1-5H3
InChIKey
XEMVQWDHRXAQNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
62
Fraction Csp3
0.95
Rotatable bonds
7
H-bond acceptors
18
H-bond donors
10
Molar refractivity
211.1
TPSA
276.14
LogP / Solubility
WLOGP
-0.92
MLOGP
-0.72
XLogP3
-0.8
Consensus LogP
-0.81
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.5
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)
-8.78
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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