Dianoside A
TL;DR: Dianoside A (CAS 91652-87-8) is a chemical compound with molecular formula C42H66O15 and molecular weight 810.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Also Known As: Dianoside A, J2.767.455K, (3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid, 1-O-[3-(Hexopyranosyloxy)-23-hydroxy-23,28-dioxoolean-12-en-28-yl]hexopyranose, (3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8a-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
| Molecular Formula | C42H66O15 |
|---|---|
| Molecular Weight | 810.44 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 810.4402 |
| Heavy Atoms | 57 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 91652-87-8 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | YYXPXYDYZRXSJH-BEVNDZSHSA-N |
Product Overview
Dianoside A (CAS 91652-87-8), with molecular formula C42H66O15 and molecular weight 810.44 g/mol. IUPAC: (3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid.
Chemical Property Profile of Dianoside A
Property Insights of Dianoside A
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dianoside A. The TPSA of 253.0 Ų indicates high polarity, suggesting Dianoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dianoside A has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dianoside A?
The CAS number of Dianoside A is 91652-87-8.
What is the molecular formula of Dianoside A?
The molecular formula of Dianoside A is C42H66O15.
What is the molecular weight of Dianoside A?
The molecular weight of Dianoside A is 810.44 g/mol.
Where can I buy Dianoside A?
You can request a quote for Dianoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dianoside A?
Yes, KEHONG BIO provides custom synthesis services for Dianoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.