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CAS 76296-72-5 Chonglou Saponin II molecular structure lightbox
CAS RN: 76296-72-5

Chonglou Saponin II

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260214 100mg In stock Shanghai Inquiry
Batchno.20250904 1g In stock Shanghai Inquiry
Batchno.20260106 250mg In stock Shanghai Inquiry
Batchno.20260115 25mg In stock Shanghai Inquiry
Batchno.20260524 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS76296-72-5
  • Purity/Analytical Methods: >99.0%
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76296-72-5 / 2-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 76296-72-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76296-72-5
Multi CAS
Yes
Molecular Formula
C44H70O16
Molecular Weight
855.000000
Exact Mass
854.466386
InChI
InChI=1S/C44H70O16/c1-19-8-13-44(53-18-19)20(2)30-27(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)55-41-36(52)38(59-39-35(51)33(49)31(47)21(3)54-39)37(29(17-46)57-41)58-40-34(50)32(48)28(16-45)56-40/h6,19-21,23-41,45-52H,7-18H2,1-5H3
InChIKey
AWKXNOOUWFJCMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
60
Fraction Csp3
0.95
Rotatable bonds
8
H-bond acceptors
16
H-bond donors
8
Molar refractivity
208.18
TPSA
235.68

LogP / Solubility

WLOGP
0.85
MLOGP
0.83
XLogP3
1.5
Consensus LogP
1.06
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
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
No
Log Kp (skin permeation)
-7.33

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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