Apocannoside
TL;DR: Apocannoside (CAS 3751-87-9) is a chemical compound with molecular formula C30H44O8 and molecular weight 532.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,10R,13R,14S,17R)-14-hydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Apocannoside, Aminopocannoside, Apocannosid, Apocannosid [German], Cannogenin + D-cymarose
| Molecular Formula | C30H44O8 |
|---|---|
| Molecular Weight | 532.30 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.3036 |
| Heavy Atoms | 38 |
| Complexity | 981.0 |
Chemical Identifiers
| CAS Number | 3751-87-9 |
|---|---|
| SMILES | CC1[C@H](C(C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)OC)O |
| InChIKey | BVEFMGIAGANFEG-UKTRRACZSA-N |
Product Overview
Apocannoside (CAS 3751-87-9), with molecular formula C30H44O8 and molecular weight 532.30 g/mol. IUPAC: (3S,5R,10R,13R,14S,17R)-14-hydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Apocannoside
Property Insights of Apocannoside
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apocannoside. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Apocannoside. Following Lipinski's Rule of Five, Apocannoside has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Apocannoside?
The CAS number of Apocannoside is 3751-87-9.
What is the molecular formula of Apocannoside?
The molecular formula of Apocannoside is C30H44O8.
What is the molecular weight of Apocannoside?
The molecular weight of Apocannoside is 532.30 g/mol.
Where can I buy Apocannoside?
You can request a quote for Apocannoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apocannoside?
Yes, KEHONG BIO provides custom synthesis services for Apocannoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.