Hovenidulcioside B2
TL;DR: Hovenidulcioside B2 (CAS 174902-17-1) is a chemical compound with molecular formula C38H60O12 and molecular weight 708.41 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)-4b,8,8,10a-tetramethyl-2'-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[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 B2, [(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-4b,8,8,10a-tetramethyl-2'-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[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, 24,5-Dihydrohovenidulcigenin A 3-O-beta-D-glucopyranoside, 21-Nor-16,17-secodammarane-16,26-dioic acid, 20-(acetyloxy)-3-(beta-D- glucopyranosyloxy)-23,30-dihydroxy-17-methyl-, di-gamma-lactone, (3beta,17R,20S,23S,25R)-, (1'S,2'R,4'aR,4'bR,7'S,8'aR,10'aR)-2'-((1R,2S)-2-(Acetyloxy)-1-methyl-3-((2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl)propyl)-7'-(beta-D-glucopyranosyloxy)dodecahydro-4'b,8',8',10'a-tetramethylspiro(furan-3(2H),1'(2'H)-phenanthren)-5(4H)-one
| Molecular Formula | C38H60O12 |
|---|---|
| Molecular Weight | 708.41 g/mol |
| LogP | 3.2831 |
| Topological Polar Surface Area | 178.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 708.40845 |
| Heavy Atoms | 50 |
| Complexity | 1302.1351 |
Chemical Identifiers
| CAS Number | 174902-17-1 |
|---|---|
| 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)OC(=O)C |
Product Overview
Hovenidulcioside B2 (CAS 174902-17-1), with molecular formula C38H60O12 and molecular weight 708.41 g/mol. IUPAC: [(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-4b,8,8,10a-tetramethyl-2'-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[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 B2
Property Insights of Hovenidulcioside B2
The XLogP value of 3.2831 indicates that Hovenidulcioside B2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.28 Ų indicates high polarity, suggesting Hovenidulcioside B2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hovenidulcioside B2 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hovenidulcioside B2?
The CAS number of Hovenidulcioside B2 is 174902-17-1.
What is the molecular formula of Hovenidulcioside B2?
The molecular formula of Hovenidulcioside B2 is C38H60O12.
What is the molecular weight of Hovenidulcioside B2?
The molecular weight of Hovenidulcioside B2 is 708.41 g/mol.
Where can I buy Hovenidulcioside B2?
You can request a quote for Hovenidulcioside B2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hovenidulcioside B2?
Yes, KEHONG BIO provides custom synthesis services for Hovenidulcioside B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.