[email protected]
CAS 1326583-08-7 Otophylloside O molecular structure lightbox
CAS RN: 1326583-08-7

Otophylloside O

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 1mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1326583-08-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1326583-08-7 / [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 4-hydroxybenzoate

Standard CAS: 1326583-08-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1326583-08-7
Multi CAS
No
Molecular Formula
C56H84O20
Molecular Weight
1077.300000
Exact Mass
1076.555595
SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC)O[C@@H]4[C@H](O[C@H](C[C@@H]4OC)O[C@H]5CC[C@@]6([C@H]7C[C@H]([C@@]8([C@@](CC[C@@]8([C@@]7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C9=CC=C(C=C9)O)C)C)C)C)OC)O
InChI
InChI=1S/C56H84O20/c1-28-47(59)37(64-8)23-44(68-28)74-49-30(3)70-46(25-39(49)66-10)76-50-31(4)71-45(26-40(50)67-11)75-48-29(2)69-43(24-38(48)65-9)72-36-17-18-52(6)34(22-36)16-19-55(62)41(52)27-42(73-51(60)33-12-14-35(58)15-13-33)53(7)54(61,32(5)57)20-21-56(53,55)63/h12-16,28-31,36-50,58-59,61-63H,17-27H2,1-11H3/t28-,29-,30-,31-,36+,37+,38+,39-,40+,41-,42-,43+,44+,45+,46+,47-,48-,49-,50-,52+,53-,54-,55+,56-/m1/s1
InChIKey
HXWUVAUZONGLJI-LNQJHQNXSA-N

Computed Properties

Structural Parameters

Heavy atom count
76
Aromatic heavy atom count
6
Fraction Csp3
0.82
Rotatable bonds
15
H-bond acceptors
20
H-bond donors
5
Molar refractivity
267.44
TPSA
255.28

LogP / Solubility

WLOGP
4.54
MLOGP
4.1
XLogP3
3.2
Consensus LogP
3.95
Log S (ESOL)
-8.45
Class (ESOL)
Insoluble
Log S (Ali)
-11.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.23
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
Yes
Log Kp (skin permeation)
-6.07

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