[email protected]
CAS 160896-49-1 Hosenkoside K molecular structure lightbox
CAS RN: 160896-49-1

Hosenkoside K

Product Availability

Choose a grade to view its available package options.

7 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20260121 1ml In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250110 100mg Out of stock Inquiry
Batchno.20260505 10mg Out of stock Inquiry
Batchno.20251224 1mg Out of stock Inquiry
Batchno.20251123 25mg Out of stock Inquiry
Batchno.20250313 50mg Out of stock Inquiry
Batchno.20250422 5mg Out of stock Inquiry
  • Product code: starshine_CAS160896-49-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

160896-49-1 / (2R,3R,4S,5S,6R)-2-[(2S)-2-[(1R,2S,2'S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aS)-8-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-4a,4b,7,10a-tetramethyl-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysene-2,5'-oxane]-2'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 160896-49-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160896-49-1
Multi CAS
No
Molecular Formula
C54H92O25
Molecular Weight
1141.300000
Exact Mass
1140.592768
SMILES
C[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]2CC[C@@]3(CC[C@@]4([C@@H]([C@H]3O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H]([C@@]6(C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)CO2
InChI
InChI=1S/C54H92O25/c1-23(20-71-46-41(67)37(63)33(59)26(16-55)74-46)25-8-13-54(22-72-25)15-14-52(4)24(45(54)70)6-7-31-50(2)11-10-32(51(3,30(50)9-12-53(31,52)5)21-73-47-42(68)38(64)34(60)27(17-56)75-47)78-49-44(40(66)36(62)29(19-58)77-49)79-48-43(69)39(65)35(61)28(18-57)76-48/h23-49,55-70H,6-22H2,1-5H3/t23-,24+,25-,26+,27+,28+,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48-,49-,50-,51-,52+,53+,54+/m0/s1
InChIKey
JWINIHBXRZXFKL-SGBJXWCQSA-N

Computed Properties

Structural Parameters

Heavy atom count
79
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
25
H-bond donors
16
Molar refractivity
267.12
TPSA
406.75

LogP / Solubility

WLOGP
-4.16
MLOGP
-3.55
XLogP3
-1.4
Consensus LogP
-3.04
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly 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)
-12.64

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

Customers Also Viewed

Get In Touch

Contact Us