Hemsloside H1
TL;DR: Hemsloside H1 (CAS 102146-27-0) is a chemical compound with molecular formula C59H94O28 and molecular weight 1250.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[[(6aR,6bS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Hemsloside H1, (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, (3beta)-28-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-28-oxoolean-12-en-3-yl O-alpha-L-arabinopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-2))-, (2S,3S,4S,5R,6R)-6-(((6aR,6bS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-3-hydroxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4-((2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahy
| Molecular Formula | C59H94O28 |
|---|---|
| Molecular Weight | 1250.59 g/mol |
| LogP | -3.4797 |
| Topological Polar Surface Area | 450.12 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 14 |
| Exact Mass | 1250.5931 |
| Heavy Atoms | 87 |
| Complexity | 2466.1313 |
Chemical Identifiers
| CAS Number | 102146-27-0 |
|---|---|
| SMILES | C[C@]12CCC(C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CCC5(C4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
Product Overview
Hemsloside H1 (CAS 102146-27-0), with molecular formula C59H94O28 and molecular weight 1250.59 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Hemsloside H1
Property Insights of Hemsloside H1
The XLogP value of -3.4797 indicates that Hemsloside H1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 450.12 Ų indicates high polarity, suggesting Hemsloside H1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hemsloside H1 has 16 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hemsloside H1?
The CAS number of Hemsloside H1 is 102146-27-0.
What is the molecular formula of Hemsloside H1?
The molecular formula of Hemsloside H1 is C59H94O28.
What is the molecular weight of Hemsloside H1?
The molecular weight of Hemsloside H1 is 1250.59 g/mol.
Where can I buy Hemsloside H1?
You can request a quote for Hemsloside H1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemsloside H1?
Yes, KEHONG BIO provides custom synthesis services for Hemsloside H1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.