Saponoside D
TL;DR: Saponoside D (CAS 29741-72-8) is a chemical compound with molecular formula C87H138O49 and molecular weight 1966.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-formyl-8a-[(2S,3R,4R,5S,6R)-3-hydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-4-[(2S,3R,4S,5R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Saponoside D, Sapanoside D, (2S,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-formyl-8a-[(2S,3R,4R,5S,6R)-3-hydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-4-[(2S,3R,4S,5R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid, beta-D-Galactopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-6-deoxy-alpha-L-mannopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)]-1-O-(3beta-{[alpha-L-arabinopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->2)]-beta-D-xylopyranosyl-(1->3)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranuronosyl]oxy}-24,28-dioxoolean-12-en-28-yl)-6-deoxy-beta-D-galactopyranose
| Molecular Formula | C87H138O49 |
|---|---|
| Molecular Weight | 1966.83 g/mol |
| LogP | -8.6 |
| Topological Polar Surface Area | 762.0 Ų |
| Hydrogen Bond Donors | 26 |
| Hydrogen Bond Acceptors | 49 |
| Rotatable Bonds | 26 |
| Exact Mass | 1966.8307 |
| Heavy Atoms | 136 |
| Complexity | 4050.0 |
Chemical Identifiers
| CAS Number | 29741-72-8 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@H]3CC[C@]4([C@H]([C@@]3(C)C=O)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)C)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)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)C)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O |
| InChIKey | WIJVRDXENCOVLH-ALYUEFILSA-N |
Product Overview
Saponoside D (CAS 29741-72-8), with molecular formula C87H138O49 and molecular weight 1966.83 g/mol. IUPAC: (2S,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-formyl-8a-[(2S,3R,4R,5S,6R)-3-hydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-4-[(2S,3R,4S,5R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Saponoside D
Property Insights of Saponoside D
The XLogP value of -8.6 indicates that Saponoside D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 762.0 Ų indicates high polarity, suggesting Saponoside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saponoside D has 26 hydrogen bond donor(s) and 49 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Saponoside D?
The CAS number of Saponoside D is 29741-72-8.
What is the molecular formula of Saponoside D?
The molecular formula of Saponoside D is C87H138O49.
What is the molecular weight of Saponoside D?
The molecular weight of Saponoside D is 1966.83 g/mol.
Where can I buy Saponoside D?
You can request a quote for Saponoside D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saponoside D?
Yes, KEHONG BIO provides custom synthesis services for Saponoside D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.