Hancoside A
TL;DR: Hancoside A (CAS 145701-08-2) is a chemical compound with molecular formula C44H62O18 and molecular weight 878.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13R,14S,15R,17S)-17-acetyl-14,15-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Also Known As: Hancoside A, Hancoside, J2.072.358K, 3beta,14beta,15beta-Trihydroxypregn-5-en-20-one-3-O-beta-D-(6-sinapoyl)glucopyranosyl(1-2)-beta-D-glucopyranoside, [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13R,14S,15R,17S)-17-acetyl-14,15-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
| Molecular Formula | C44H62O18 |
|---|---|
| Molecular Weight | 878.39 g/mol |
| LogP | 0.2365 |
| Topological Polar Surface Area | 280.82 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 878.3936 |
| Heavy Atoms | 62 |
| Complexity | 1846.484 |
Chemical Identifiers
| CAS Number | 145701-08-2 |
|---|---|
| SMILES | CC(=O)[C@H]1C[C@H]([C@]2([C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)/C=C/C7=CC(=C(C(=C7)OC)O)OC)O)O)O)C)C)O)O |
Product Overview
Hancoside A (CAS 145701-08-2), with molecular formula C44H62O18 and molecular weight 878.39 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13R,14S,15R,17S)-17-acetyl-14,15-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of Hancoside A
Property Insights of Hancoside A
The XLogP value of 0.2365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hancoside A. The TPSA of 280.82 Ų indicates high polarity, suggesting Hancoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hancoside A has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hancoside A?
The CAS number of Hancoside A is 145701-08-2.
What is the molecular formula of Hancoside A?
The molecular formula of Hancoside A is C44H62O18.
What is the molecular weight of Hancoside A?
The molecular weight of Hancoside A is 878.39 g/mol.
Where can I buy Hancoside A?
You can request a quote for Hancoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hancoside A?
Yes, KEHONG BIO provides custom synthesis services for Hancoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.