3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid
TL;DR: 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid (CAS 195971-47-2) is a chemical compound with molecular formula C41H64O13 and molecular weight 764.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Momordin Ic, Momordin 1c, Scoparianoside B, Momordin-Ic, Momordin?Ic
| Molecular Formula | C41H64O13 |
|---|---|
| Molecular Weight | 764.43 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 764.4347 |
| Heavy Atoms | 54 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 195971-47-2 |
|---|---|
| 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)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O |
| InChIKey | HWYBGIDROCYPOE-WEAQAMGWSA-N |
Product Overview
3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid (CAS 195971-47-2), with molecular formula C41H64O13 and molecular weight 764.43 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid
Property Insights of 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid
The XLogP value of 4.6 indicates that 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.0 Ų indicates high polarity, suggesting 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid?
The CAS number of 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid is 195971-47-2.
What is the molecular formula of 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid?
The molecular formula of 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid is C41H64O13.
What is the molecular weight of 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid?
The molecular weight of 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid is 764.43 g/mol.
Where can I buy 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid?
You can request a quote for 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-O-(Beta-D-Xylopyranosyl(1->3)-Beta-D-Glucopyranosiduronic Acid)Oleanolic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.