Macrophyllosaponin D
TL;DR: Macrophyllosaponin D (CAS 184104-63-0) is a chemical compound with molecular formula C46H78O17 and molecular weight 902.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1S,3S,4S,6S,10S,12S,16R)-15-[(2R,5S)-5-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,10-dihydroxy-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-methyloxane-3,4,5-triol
Also Known As: Macrophyllosaponin D, (5xi,8xi,17xi,24S)-1alpha,7beta,25-Trihydroxy-24-[(2-O-pentopyranosylpentopyranosyl)oxy]-9beta-9,19-cyclolanostan-3beta-yl 6-deoxyhexopyranoside, 2-(((1S,3S,4S,6S,10S,12S,16R)-15-((2R,5S)-5-(4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-6-hydroxy-6-methylheptan-2-yl)-4,10-dihydroxy-7,7,12,16-tetramethyl-6-pentacyclo(9.7.0.01,3.03,8.012,16)octadecanyl)oxy)-6-methyloxane-3,4,5-triol, 2-[[(1S,3S,4S,6S,10S,12S,16R)-15-[(2R,5S)-5-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,10-dihydroxy-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-methyloxane-3,4,5-triol
| Molecular Formula | C46H78O17 |
|---|---|
| Molecular Weight | 902.52 g/mol |
| LogP | 0.0545 |
| Topological Polar Surface Area | 277.91 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 902.5239 |
| Heavy Atoms | 63 |
| Complexity | 1630.5397 |
Chemical Identifiers
| CAS Number | 184104-63-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)O[C@H]2C[C@@H]([C@]34C[C@]35CC[C@@]6(C(CC[C@]6(C5[C@H](CC4C2(C)C)O)C)[C@H](C)CC[C@@H](C(C)(C)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)C)O)O)O)O |
Product Overview
Macrophyllosaponin D (CAS 184104-63-0), with molecular formula C46H78O17 and molecular weight 902.52 g/mol. IUPAC: 2-[[(1S,3S,4S,6S,10S,12S,16R)-15-[(2R,5S)-5-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,10-dihydroxy-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Macrophyllosaponin D
Property Insights of Macrophyllosaponin D
The XLogP value of 0.0545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Macrophyllosaponin D. The TPSA of 277.91 Ų indicates high polarity, suggesting Macrophyllosaponin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Macrophyllosaponin D has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Macrophyllosaponin D?
The CAS number of Macrophyllosaponin D is 184104-63-0.
What is the molecular formula of Macrophyllosaponin D?
The molecular formula of Macrophyllosaponin D is C46H78O17.
What is the molecular weight of Macrophyllosaponin D?
The molecular weight of Macrophyllosaponin D is 902.52 g/mol.
Where can I buy Macrophyllosaponin D?
You can request a quote for Macrophyllosaponin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macrophyllosaponin D?
Yes, KEHONG BIO provides custom synthesis services for Macrophyllosaponin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.