CAS RN: 2067321-88-2
Soyasapogenol A 21-O-α-L-rhamnopyranoside
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.20250207 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2067321-88-2
- Purity/Analytical Methods: >99.0%
2067321-88-2 / (2S,3R,4R,5R,6S)-2-[[(3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-4,10-dihydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol
Basic Information
CAS
2067321-88-2
Multi CAS
No
Molecular Formula
C36H60O8
Molecular Weight
620.900000
Exact Mass
620.428819
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@@]3(CC[C@@]4(C(=CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H]([C@]6(C)CO)O)C)C)[C@@H]3CC2(C)C)C)C)O)O)O)O
InChI
InChI=1S/C36H60O8/c1-19-25(39)26(40)27(41)30(43-19)44-29-28(42)32(4)15-16-35(7)20(21(32)17-31(29,2)3)9-10-23-33(5)13-12-24(38)34(6,18-37)22(33)11-14-36(23,35)8/h9,19,21-30,37-42H,10-18H2,1-8H3/t19-,21-,22+,23+,24-,25-,26+,27+,28+,29-,30-,32+,33-,34+,35+,36+/m0/s1
InChIKey
SEBPBWRHNOATKL-VJZNDNFUSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Fraction Csp3
0.94
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
6
Molar refractivity
166.13
TPSA
139.84
LogP / Solubility
WLOGP
3.93
MLOGP
3.51
XLogP3
4.7
Consensus LogP
4.05
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
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)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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