Gynosaponin I
TL;DR: Gynosaponin I (CAS 1207861-69-5) is a chemical compound with molecular formula C47H80O17 and molecular weight 916.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[[(10R,12S,14R)-17-[(2R)-2-[(2S,3R,4R,5S,6R)-6-[[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-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)oxane-3,4,5-triol
Also Known As: Gynosaponin I, Gynostemma Extract, Gypenoside IX, Notoginsenoside Fd, (2R,3R,4S,5S,6R)-2-[[(10R,12S,14R)-17-[(2R)-2-[(2S,3R,4R,5S,6R)-6-[[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-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)oxane-3,4,5-triol
| Molecular Formula | C47H80O17 |
|---|---|
| Molecular Weight | 916.54 g/mol |
| LogP | 0.8763 |
| Topological Polar Surface Area | 266.91 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Exact Mass | 916.53955 |
| Heavy Atoms | 64 |
| Complexity | 1595.3464 |
Chemical Identifiers
| CAS Number | 1207861-69-5 |
|---|---|
| SMILES | CC(=CCC[C@](C)(C1CC[C@]2(C1[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)O)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)OC)O)O)O)C |
Product Overview
Gynosaponin I (CAS 1207861-69-5), with molecular formula C47H80O17 and molecular weight 916.54 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[[(10R,12S,14R)-17-[(2R)-2-[(2S,3R,4R,5S,6R)-6-[[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-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)oxane-3,4,5-triol.
Chemical Property Profile of Gynosaponin I
Property Insights of Gynosaponin I
The XLogP value of 0.8763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gynosaponin I. The TPSA of 266.91 Ų indicates high polarity, suggesting Gynosaponin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gynosaponin I has 10 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 Gynosaponin I?
The CAS number of Gynosaponin I is 1207861-69-5.
What is the molecular formula of Gynosaponin I?
The molecular formula of Gynosaponin I is C47H80O17.
What is the molecular weight of Gynosaponin I?
The molecular weight of Gynosaponin I is 916.54 g/mol.
Where can I buy Gynosaponin I?
You can request a quote for Gynosaponin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gynosaponin I?
Yes, KEHONG BIO provides custom synthesis services for Gynosaponin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.