[email protected]
CAS 55916-52-4 Pennogenin3-O-α-L-rhamnopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→4)]-β-D-glucopyranoside molecular structure lightbox
CAS RN: 55916-52-4

Pennogenin3-O-α-L-rhamnopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→4)]-β-D-glucopyranoside

Product Availability

Choose a grade to view its available package options.

6 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 10mg Out of stock Inquiry
Batchno.20250421 1mg Out of stock Inquiry
Batchno.20251009 25mg Out of stock Inquiry
Batchno.20251011 50mg Out of stock Inquiry
Batchno.20250401 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 20mg In stock Shandong Inquiry
  • Product code: starshine_CAS55916-52-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

55916-52-4 / 2-[4-hydroxy-2-(hydroxymethyl)-6-(8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 55916-52-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55916-52-4
Multi CAS
Yes
Molecular Formula
C45H72O17
Molecular Weight
885.000000
Exact Mass
884.476951
InChI
InChI=1S/C45H72O17/c1-19-9-14-44(55-18-19)22(4)45(54)29(62-44)16-27-25-8-7-23-15-24(10-12-42(23,5)26(25)11-13-43(27,45)6)58-41-38(61-40-35(52)33(50)31(48)21(3)57-40)36(53)37(28(17-46)59-41)60-39-34(51)32(49)30(47)20(2)56-39/h7,19-22,24-41,46-54H,8-18H2,1-6H3/t19-,20+,21+,22-,24+,25-,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-,45-/m1/s1
InChIKey
NABPSKKFOWENEB-KUYDPMQHSA-N

Computed Properties

Structural Parameters

Heavy atom count
62
Fraction Csp3
0.96
Rotatable bonds
7
H-bond acceptors
17
H-bond donors
9
Molar refractivity
214.24
TPSA
255.91

LogP / Solubility

WLOGP
0.36
MLOGP
0.4
XLogP3
0.1
Consensus LogP
0.29
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
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)
-7.87

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