![CAS 313054-32-9 3-O-[α-L-rhaMnopyranosyl-(1-2)-[β-D-xylopyranosyl-(1-3)]-β-D-glucopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/313054-32-9.gif)
CAS RN: 313054-32-9
3-O-[α-L-rhaMnopyranosyl-(1-2)-[β-D-xylopyranosyl-(1-3)]-β-D-glucopyranoside
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.20260515 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS313054-32-9
- Purity/Analytical Methods: >99.0%
313054-32-9 / [(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-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-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxan-3-yl] acetate
Basic Information
CAS
313054-32-9
Multi CAS
Yes
Molecular Formula
C46H72O18
Molecular Weight
913.100000
Exact Mass
912.471865
InChI
InChI=1S/C44H70O17/c1-19-8-13-43(55-17-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)57-40-37(60-39-34(51)32(49)30(47)20(2)56-39)35(52)36(28(16-45)58-40)59-38-33(50)31(48)27(46)18-54-38/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19?,20?,21?,23?,24-,25+,26?,27?,28?,29+,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41+,42+,43-,44-/m1/s1
InChIKey
MXFOMMHAIRXMFQ-GFPHCQTESA-N
Computed Properties
Structural Parameters
Heavy atom count
64
Fraction Csp3
0.93
Rotatable bonds
8
H-bond acceptors
18
H-bond donors
8
Molar refractivity
219.19
TPSA
261.98
LogP / Solubility
WLOGP
0.54
MLOGP
0.56
XLogP3
0.8
Consensus LogP
0.63
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7
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)
-7.91
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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