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CAS 14144-06-0 Diosgenin glucoside molecular structure lightbox
CAS RN: 14144-06-0

Diosgenin glucoside

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250314 100mg In stock Shanghai Inquiry
Batchno.20260309 10mg In stock Shanghai Inquiry
Batchno.20250202 250mg In stock Shanghai Inquiry
Batchno.20250523 50mg In stock Shanghai Inquiry
Batchno.20250119 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS14144-06-0
  • Purity/Analytical Methods: >99.0%
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14144-06-0 / (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol

Standard CAS: 14144-06-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14144-06-0
Multi CAS
No
Molecular Formula
C33H52O8
Molecular Weight
576.800000
Exact Mass
576.366219
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)OC1
InChI
InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1
InChIKey
WXMARHKAXWRNDM-GAMIEDRGSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Fraction Csp3
0.94
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
4
Molar refractivity
150.33
TPSA
117.84

LogP / Solubility

WLOGP
3.54
MLOGP
3.16
XLogP3
4.1
Consensus LogP
3.6
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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