[email protected]
CAS 911819-08-4 OPHIOPOGONIN C molecular structure lightbox
CAS RN: 911819-08-4

OPHIOPOGONIN C

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251216 1mg Out of stock Inquiry
Batchno.20250510 5mg Out of stock Inquiry
  • Product code: starshine_CAS911819-08-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

911819-08-4 / (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-2,8-dihydroxy-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-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 911819-08-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
911819-08-4
Multi CAS
Yes
Molecular Formula
C44H70O18
Molecular Weight
887.000000
Exact Mass
886.456215
InChI
InChI=1S/C44H70O18/c1-19-8-13-43(56-17-19)21(3)44(54)28(62-43)15-42(53)25-7-6-22-14-23(9-11-40(22,4)24(25)10-12-41(42,44)5)58-39-36(61-38-33(51)31(49)29(47)20(2)57-38)34(52)35(27(16-45)59-39)60-37-32(50)30(48)26(46)18-55-37/h6,19-21,23-39,45-54H,7-18H2,1-5H3/t19-,20+,21-,23+,24+,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35-,36-,37+,38+,39-,40+,41+,42-,43-,44-/m1/s1
InChIKey
KLOUOGJUAFMUDK-DGDLHAQSSA-N

Computed Properties

Structural Parameters

Heavy atom count
62
Fraction Csp3
0.95
Rotatable bonds
7
H-bond acceptors
18
H-bond donors
10
Molar refractivity
211.1
TPSA
276.14

LogP / Solubility

WLOGP
-0.92
MLOGP
-0.72
XLogP3
-1.4
Consensus LogP
-1.01
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.5
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)
-8.78

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