Hovenidulcioside B1
TL;DR: Hovenidulcioside B1 (CAS 174903-39-0) is a chemical compound with molecular formula C44H70O16 and molecular weight 854.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-7-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4b,8,8,10a-tetramethyl-2'-oxospiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butan-2-yl] acetate
Also Known As: Hovenidulcioside B1, 1H-Benzotriazole-1-acetic acid, methyl ester, 2H-Benzotriazole-2-acetic acid, methyl ester, [(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-7-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4b,8,8,10a-tetramethyl-2'-oxospiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butan-2-yl] acetate, 1-(3,5-dimethylpyrazol-1-yl)-3-phenylprop-2-en-1-one
| Molecular Formula | C44H70O16 |
|---|---|
| Molecular Weight | 854.47 g/mol |
| LogP | 2.1349 |
| Topological Polar Surface Area | 237.2 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 854.4664 |
| Heavy Atoms | 60 |
| Complexity | 1592.0974 |
Chemical Identifiers
| CAS Number | 174903-39-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H](OC1=O)C[C@@H]([C@H](C)[C@H]2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3([C@]25CC(=O)OC5)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)C)OC(=O)C |
Product Overview
Hovenidulcioside B1 (CAS 174903-39-0), with molecular formula C44H70O16 and molecular weight 854.47 g/mol. IUPAC: [(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-7-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4b,8,8,10a-tetramethyl-2'-oxospiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butan-2-yl] acetate.
Chemical Property Profile of Hovenidulcioside B1
Property Insights of Hovenidulcioside B1
The XLogP value of 2.1349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hovenidulcioside B1. The TPSA of 237.2 Ų indicates high polarity, suggesting Hovenidulcioside B1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hovenidulcioside B1 has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hovenidulcioside B1?
The CAS number of Hovenidulcioside B1 is 174903-39-0.
What is the molecular formula of Hovenidulcioside B1?
The molecular formula of Hovenidulcioside B1 is C44H70O16.
What is the molecular weight of Hovenidulcioside B1?
The molecular weight of Hovenidulcioside B1 is 854.47 g/mol.
Where can I buy Hovenidulcioside B1?
You can request a quote for Hovenidulcioside B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hovenidulcioside B1?
Yes, KEHONG BIO provides custom synthesis services for Hovenidulcioside B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.