Hederoside B
TL;DR: Hederoside B (CAS 39776-12-0) is a chemical compound with molecular formula C36H58O9 and molecular weight 634.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aS,6bR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Hederoside B, Vitalboside B, Saponin 2, MEGxp0_001184, ACon1_000976
| Molecular Formula | C36H58O9 |
|---|---|
| Molecular Weight | 634.41 g/mol |
| LogP | 4.0302 |
| Topological Polar Surface Area | 156.91 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 634.4081 |
| Heavy Atoms | 45 |
| Complexity | 1200.9054 |
Chemical Identifiers
| CAS Number | 39776-12-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
Product Overview
Hederoside B (CAS 39776-12-0), with molecular formula C36H58O9 and molecular weight 634.41 g/mol. IUPAC: (4aS,6aS,6bR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Hederoside B
Property Insights of Hederoside B
The XLogP value of 4.0302 indicates that Hederoside B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.91 Ų indicates high polarity, suggesting Hederoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hederoside B has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hederoside B?
The CAS number of Hederoside B is 39776-12-0.
What is the molecular formula of Hederoside B?
The molecular formula of Hederoside B is C36H58O9.
What is the molecular weight of Hederoside B?
The molecular weight of Hederoside B is 634.41 g/mol.
Where can I buy Hederoside B?
You can request a quote for Hederoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hederoside B?
Yes, KEHONG BIO provides custom synthesis services for Hederoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.