[email protected]
CAS 78763-58-3 Deapio-platycodin-D,Deapi-platycodin D,Deapioplatycodin D,Desapioplatycodin D molecular structure lightbox
CAS RN: 78763-58-3

Deapio-platycodin-D,Deapi-platycodin D,Deapioplatycodin D,Desapioplatycodin D

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251125 10mg Out of stock Inquiry
Batchno.20250630 1mg Out of stock Inquiry
Batchno.20250401 5mg Out of stock Inquiry
  • Product code: starshine_CAS78763-58-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

78763-58-3 / [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Standard CAS: 78763-58-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78763-58-3
Multi CAS
Yes
Molecular Formula
C52H84O24
Molecular Weight
1093.200000
Exact Mass
1092.535254
InChI
InChI=1S/C52H84O24/c1-21-39(73-42-36(65)31(60)25(57)17-69-42)35(64)38(67)43(71-21)74-40-32(61)26(58)18-70-45(40)76-46(68)52-12-11-47(2,3)13-23(52)22-7-8-28-48(4)14-24(56)41(75-44-37(66)34(63)33(62)27(16-53)72-44)51(19-54,20-55)29(48)9-10-49(28,5)50(22,6)15-30(52)59/h7,21,23-45,53-67H,8-20H2,1-6H3/t21-,23-,24-,25+,26-,27+,28+,29+,30+,31-,32-,33+,34-,35-,36+,37+,38+,39-,40+,41-,42-,43-,44-,45-,48+,49+,50+,52+/m0/s1
InChIKey
HCKUIVZXCXTBEH-PSRBGVDOSA-N

Computed Properties

Structural Parameters

Heavy atom count
76
Fraction Csp3
0.94
Rotatable bonds
11
H-bond acceptors
24
H-bond donors
15
Molar refractivity
254.98
TPSA
394.36

LogP / Solubility

WLOGP
-3.84
MLOGP
-3.27
XLogP3
-2.5
Consensus LogP
-3.2
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
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)
-12.12

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