Astrasieversianin XVI
TL;DR: Astrasieversianin XVI (CAS 101843-82-7) is a chemical compound with molecular formula C47H78O18 and molecular weight 930.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Astrasieversianin XVI, J2.767.384H, (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol, ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl) (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-((2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, (20R,24S)-3beta-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-xylopyranosyl]oxy}-16beta,25-dihydroxy-9beta-20,24-epoxy-9,19-cyclolanostan-6alpha-yl beta-D-glucopyranoside
| Molecular Formula | C47H78O18 |
|---|---|
| Molecular Weight | 930.52 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 287.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 930.5188 |
| Heavy Atoms | 65 |
| Complexity | 1760.0 |
Chemical Identifiers
| CAS Number | 101843-82-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@H]3CC[C@]45C[C@]46CC[C@@]7([C@H]([C@H](C[C@]7([C@@H]6C[C@@H]([C@H]5C3(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)O)[C@]9(CC[C@H](O9)C(C)(C)O)C)C)O)O)O)O)O |
| InChIKey | OHYHOQFXLXSVIP-SOMZREBESA-N |
Product Overview
Astrasieversianin XVI (CAS 101843-82-7), with molecular formula C47H78O18 and molecular weight 930.52 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Astrasieversianin XVI
Property Insights of Astrasieversianin XVI
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Astrasieversianin XVI. The TPSA of 287.0 Ų indicates high polarity, suggesting Astrasieversianin XVI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Astrasieversianin XVI has 11 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 Astrasieversianin XVI?
The CAS number of Astrasieversianin XVI is 101843-82-7.
What is the molecular formula of Astrasieversianin XVI?
The molecular formula of Astrasieversianin XVI is C47H78O18.
What is the molecular weight of Astrasieversianin XVI?
The molecular weight of Astrasieversianin XVI is 930.52 g/mol.
Where can I buy Astrasieversianin XVI?
You can request a quote for Astrasieversianin XVI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Astrasieversianin XVI?
Yes, KEHONG BIO provides custom synthesis services for Astrasieversianin XVI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.