CAS RN: 1011711-05-9
Astraganoside
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.20250122 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1011711-05-9
- Purity/Analytical Methods: >99.0%
1011711-05-9 / (2S,3R,4S,5S,6R)-2-[[(3R,4R)-4-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Astraganoside | orb1684748 | SCHEMBL29983055
Basic Information
CAS
1011711-05-9
Multi CAS
Yes
Molecular Formula
C23H28O11
Molecular Weight
480.500000
Exact Mass
480.163162
SMILES
COC1=C(C(=C(C=C1)[C@@H]2COC3=C([C@@H]2O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC
InChI
InChI=1S/C23H28O11/c1-30-14-6-5-11(18(26)22(14)31-2)13-9-32-15-7-10(3-4-12(15)17(13)25)33-23-21(29)20(28)19(27)16(8-24)34-23/h3-7,13,16-17,19-21,23-29H,8-9H2,1-2H3/t13-,16+,17-,19+,20-,21+,23+/m0/s1
InChIKey
JTRBZHFVAAWBNR-IOXUZUKPSA-N
Synonyms
Astraganoside
orb1684748
SCHEMBL29983055
HY-N4212
AKOS040760280
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
6
Molar refractivity
115.24
TPSA
167.53
LogP / Solubility
WLOGP
-0.2
MLOGP
-0.14
Consensus LogP
-0.11
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-5.79
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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