Gymnocladus saponin G
TL;DR: Gymnocladus saponin G (CAS 108886-09-5) is a chemical compound with molecular formula C100H160O53 and molecular weight 2208.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (3S,4aR,5S,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,11-dihydroxy-9-(hydroxymethyl)-3-[(2E,6S)-6-[(2S,3R,4R,5S)-3-hydroxy-5-(2-methylbutanoyloxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Gymnocladus saponin G, [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (3S,4aR,5S,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,11-dihydroxy-9-(hydroxymethyl)-3-[(2E,6S)-6-[(2S,3R,4R,5S)-3-hydroxy-5-(2-methylbutanoyloxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
| Molecular Formula | C100H160O53 |
|---|---|
| Molecular Weight | 2208.98 g/mol |
| LogP | -10.1432 |
| Topological Polar Surface Area | 820.71 Ų |
| Hydrogen Bond Donors | 28 |
| Hydrogen Bond Acceptors | 53 |
| Rotatable Bonds | 33 |
| Exact Mass | 2208.9824 |
| Heavy Atoms | 153 |
| Complexity | 4643.675 |
Chemical Identifiers
| CAS Number | 108886-09-5 |
|---|---|
| SMILES | CCC(C)C(=O)O[C@H]1CO[C@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@](C)(CC/C=C(\C)/C(=O)O[C@H]3C[C@@]4([C@H](C[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(C[C@@H]([C@@H]([C@@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)O)C)C)[C@@H]4CC3(C)C)C)O)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)C=C |
Product Overview
Gymnocladus saponin G (CAS 108886-09-5), with molecular formula C100H160O53 and molecular weight 2208.98 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (3S,4aR,5S,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,11-dihydroxy-9-(hydroxymethyl)-3-[(2E,6S)-6-[(2S,3R,4R,5S)-3-hydroxy-5-(2-methylbutanoyloxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Gymnocladus saponin G
Property Insights of Gymnocladus saponin G
The XLogP value of -10.1432 indicates that Gymnocladus saponin G is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 820.71 Ų indicates high polarity, suggesting Gymnocladus saponin G may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gymnocladus saponin G has 28 hydrogen bond donor(s) and 53 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gymnocladus saponin G?
The CAS number of Gymnocladus saponin G is 108886-09-5.
What is the molecular formula of Gymnocladus saponin G?
The molecular formula of Gymnocladus saponin G is C100H160O53.
What is the molecular weight of Gymnocladus saponin G?
The molecular weight of Gymnocladus saponin G is 2208.98 g/mol.
Where can I buy Gymnocladus saponin G?
You can request a quote for Gymnocladus saponin G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gymnocladus saponin G?
Yes, KEHONG BIO provides custom synthesis services for Gymnocladus saponin G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.