Bipinnatifidusoside F1
TL;DR: Bipinnatifidusoside F1 (CAS 125409-60-1) is a chemical compound with molecular formula C47H80O19 and molecular weight 948.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13S,14R,17S)-12-hydroxy-17-[(2S)-5-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Bipinnatifidusoside F1, Dammar-25(26)-ene-3,12,20,24-tetraol-(20-O-glucopyranosyl)-3-O-glucopyranosyl(1-2)-glucopyranoside, (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13S,14R,17S)-12-hydroxy-17-[(2S)-5-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, beta-D-Glucopyranoside, (3beta,12beta)-20-(beta-D-glucopyranosyloxy)-12,24-dihydroxydammar-25-en-3-yl 2-O-beta-D-glucopyranosyl-, (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13S,14R,17S)-12-hydroxy-17-[(2S)-5-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-
| Molecular Formula | C47H80O19 |
|---|---|
| Molecular Weight | 948.53 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 318.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Exact Mass | 948.52936 |
| Heavy Atoms | 66 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 125409-60-1 |
|---|---|
| SMILES | CC(=C)C(CC[C@@](C)([C@H]1CC[C@]2([C@H]1[C@H](CC3C2CCC4[C@@]3(CCC(C4(C)C)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)CO)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O |
| InChIKey | UYZKHXYACWTLFG-VPURUKEUSA-N |
Product Overview
Bipinnatifidusoside F1 (CAS 125409-60-1), with molecular formula C47H80O19 and molecular weight 948.53 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13S,14R,17S)-12-hydroxy-17-[(2S)-5-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Bipinnatifidusoside F1
Property Insights of Bipinnatifidusoside F1
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bipinnatifidusoside F1. The TPSA of 318.0 Ų indicates high polarity, suggesting Bipinnatifidusoside F1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bipinnatifidusoside F1 has 13 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bipinnatifidusoside F1?
The CAS number of Bipinnatifidusoside F1 is 125409-60-1.
What is the molecular formula of Bipinnatifidusoside F1?
The molecular formula of Bipinnatifidusoside F1 is C47H80O19.
What is the molecular weight of Bipinnatifidusoside F1?
The molecular weight of Bipinnatifidusoside F1 is 948.53 g/mol.
Where can I buy Bipinnatifidusoside F1?
You can request a quote for Bipinnatifidusoside F1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bipinnatifidusoside F1?
Yes, KEHONG BIO provides custom synthesis services for Bipinnatifidusoside F1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.