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CAS 156764-82-8 Hosenkoside B molecular structure lightbox
CAS RN: 156764-82-8

Hosenkoside B

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5 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 10mg Out of stock Inquiry
Batchno.20260515 1mg Out of stock Inquiry
Batchno.20260128 25mg Out of stock Inquiry
Batchno.20260531 5mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS156764-82-8
  • Purity/Analytical Methods: >99.0%
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156764-82-8 / (2R,3R,4S,5S,6R)-2-[(2R)-2-[(1R,2S,2'R,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-7-(hydroxymethyl)-4a,4b,7,10a-tetramethylspiro[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: 156764-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156764-82-8
Multi CAS
No
Molecular Formula
C48H82O20
Molecular Weight
979.200000
Exact Mass
978.539945
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)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)CO2
InChI
InChI=1S/C48H82O20/c1-22(19-62-41-37(59)34(56)31(53)25(16-49)64-41)24-8-13-48(21-63-24)15-14-46(4)23(40(48)61)6-7-29-44(2)11-10-30(45(3,20-52)28(44)9-12-47(29,46)5)67-43-39(36(58)33(55)27(18-51)66-43)68-42-38(60)35(57)32(54)26(17-50)65-42/h22-43,49-61H,6-21H2,1-5H3/t22-,23-,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-/m1/s1
InChIKey
GBXXXUUAOFPGRP-FLOLCGAJSA-N

Computed Properties

Structural Parameters

Heavy atom count
68
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
20
H-bond donors
13
Molar refractivity
234.49
TPSA
327.6

LogP / Solubility

WLOGP
-1.98
MLOGP
-1.65
XLogP3
0.2
Consensus LogP
-1.14
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.82
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)
-10.1

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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