木鳖子皂苷II(齐墩果酸)
TL;DR: 木鳖子皂苷II(齐墩果酸) (CAS 95851-41-5) is a chemical compound with molecular formula C47H74O18 and molecular weight 926.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
木鳖子皂苷II(齐墩果酸)
(2S,3S,4S,5R,6S)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-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-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Momordin II, Hemsloside Ma 1, Momordin Ii (oleanolic Acid), (2S,3S,4S,5R,6S)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-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-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxo-olean-12-en-3-yl 3-O-alpha-L-arabinopyranosyl-
| Molecular Formula | C47H74O18 |
|---|---|
| Molecular Weight | 926.49 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 292.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 926.4875 |
| Heavy Atoms | 65 |
| Complexity | 1830.0 |
Chemical Identifiers
| CAS Number | 95851-41-5 |
|---|---|
| SMILES | C[C@]12CCC(C(C1CC[C@@]3(C2CC=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[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)O |
| InChIKey | BAJBCZHVQXVBMJ-WFASKJANSA-N |
Product Overview
木鳖子皂苷II(齐墩果酸) (CAS 95851-41-5), with molecular formula C47H74O18 and molecular weight 926.49 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-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-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of 木鳖子皂苷II(齐墩果酸)
Property Insights of 木鳖子皂苷II(齐墩果酸)
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 木鳖子皂苷II(齐墩果酸). The TPSA of 292.0 Ų indicates high polarity, suggesting 木鳖子皂苷II(齐墩果酸) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 木鳖子皂苷II(齐墩果酸) has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 木鳖子皂苷II(齐墩果酸)?
The CAS number of 木鳖子皂苷II(齐墩果酸) is 95851-41-5.
What is the molecular formula of 木鳖子皂苷II(齐墩果酸)?
The molecular formula of 木鳖子皂苷II(齐墩果酸) is C47H74O18.
What is the molecular weight of 木鳖子皂苷II(齐墩果酸)?
The molecular weight of 木鳖子皂苷II(齐墩果酸) is 926.49 g/mol.
Where can I buy 木鳖子皂苷II(齐墩果酸)?
You can request a quote for 木鳖子皂苷II(齐墩果酸) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 木鳖子皂苷II(齐墩果酸)?
Yes, KEHONG BIO provides custom synthesis services for 木鳖子皂苷II(齐墩果酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.