CAS RN: 60213-69-6
oleanolic acid-3-O-β-D-glucopyranosyl (1→2)-α-L-arabinopyranoside
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260117 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS60213-69-6
- Purity/Analytical Methods: >99.0%
60213-69-6 / 10-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Basic Information
CAS
60213-69-6
Multi CAS
Yes
Molecular Formula
C41H66O12
Molecular Weight
751.000000
Exact Mass
750.455428
InChI
InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1
InChIKey
GXWUEMSASMVWKO-LFGJQLCQSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Fraction Csp3
0.93
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
7
Molar refractivity
191.94
TPSA
195.6
LogP / Solubility
WLOGP
3.52
MLOGP
3.16
XLogP3
4.4
Consensus LogP
3.69
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-8.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.18
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
Yes
Log Kp (skin permeation)
-4.8
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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