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CAS 32471-99-1 Diosgenin-3-O-Β-D-glucuronide molecular structure lightbox
CAS RN: 32471-99-1

Diosgenin-3-O-Β-D-glucuronide

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4 package records2 with current stock1 grade group
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Batchno.20260216 1mg In stock Inquiry
Batchno.20250802 1mg / 5mg / 25mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS32471-99-1
  • Purity/Analytical Methods: >99.0%
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32471-99-1 / sodium (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S,2S,4S,5'S,6S,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-2-carboxylate

Standard CAS: 32471-99-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32471-99-1
Multi CAS
Yes
Molecular Formula
C33H49NAO9
Molecular Weight
612.700000
Exact Mass
612.327427
InChI
InChI=1S/C33H50O9.Na/c1-16-7-12-33(39-15-16)17(2)24-23(42-33)14-22-20-6-5-18-13-19(8-10-31(18,3)21(20)9-11-32(22,24)4)40-30-27(36)25(34)26(35)28(41-30)29(37)38;/h5,16-17,19-28,30,34-36H,6-15H2,1-4H3,(H,37,38);/q;+1/p-1/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+,28-,30+,31-,32-,33-;/m0./s1
InChIKey
LTNYWDONDWLMCP-DSBCIPFDSA-M

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
3
Molar refractivity
148.26
TPSA
137.74

LogP / Solubility

WLOGP
-0.7
MLOGP
-0.57
XLogP3
-0.7
Consensus LogP
-0.66
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.42
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)
-6.95

Drug-likeness / Medicinal Chemistry

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

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