CAS RN: 142473-99-2
3-O-β-D-apiofuranosyl(1-2)-β-D-glucopyranosyl rhamnocitrin 4′-O-β-D-glucopyranoside
Product Availability
Choose a grade to view its available package options.
6 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260315 | 10mg | In stock | Shandong | Inquiry |
| Batchno.20250807 | 10mg | Out of stock | Inquiry | |
| Batchno.20251230 | 1mg | Out of stock | Inquiry | |
| Batchno.20250423 | 25mg | Out of stock | Inquiry | |
| Batchno.20251107 | 50mg | Out of stock | Inquiry | |
| Batchno.20260128 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS142473-99-2
- Purity/Analytical Methods: >99.0%
142473-99-2 / 3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-7-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Basic Information
CAS
142473-99-2
Multi CAS
No
Molecular Formula
C33H40O20
Molecular Weight
756.700000
Exact Mass
756.211294
SMILES
COC1=CC(=C2C(=C1)OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
InChI
InChI=1S/C33H40O20/c1-46-14-6-15(37)19-16(7-14)49-26(12-2-4-13(5-3-12)48-30-25(43)23(41)20(38)17(8-34)50-30)27(22(19)40)52-31-28(24(42)21(39)18(9-35)51-31)53-32-29(44)33(45,10-36)11-47-32/h2-7,17-18,20-21,23-25,28-32,34-39,41-45H,8-11H2,1H3/t17-,18-,20-,21-,23+,24+,25-,28-,29+,30-,31+,32+,33-/m1/s1
InChIKey
YCXFPUHHUJNTNY-CUCHOISXSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
16
Fraction Csp3
0.55
Rotatable bonds
11
H-bond acceptors
20
H-bond donors
11
Molar refractivity
171.58
TPSA
317.35
LogP / Solubility
WLOGP
-4
MLOGP
-3.46
XLogP3
-2
Consensus LogP
-3.15
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-10.18
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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