Notoginsenoside R1
TL;DR: Notoginsenoside R1 (CAS 80418-24-2) is a chemical compound with molecular formula C47H80O18 and molecular weight 932.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Notoginsenoside R1, Sanchinoside R1, Notoginsenoside, NotoginsenosideR1, Notoginsenoside R 1
| Molecular Formula | C47H80O18 |
|---|---|
| Molecular Weight | 932.53 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 298.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 932.5345 |
| Heavy Atoms | 65 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 80418-24-2 |
|---|---|
| SMILES | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C |
| InChIKey | LLPWNQMSUYAGQI-OOSPGMBYSA-N |
Product Overview
Notoginsenoside R1 (CAS 80418-24-2), with molecular formula C47H80O18 and molecular weight 932.53 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Notoginsenoside R1
Property Insights of Notoginsenoside R1
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Notoginsenoside R1. The TPSA of 298.0 Ų indicates high polarity, suggesting Notoginsenoside R1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Notoginsenoside R1 has 12 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 Notoginsenoside R1?
The CAS number of Notoginsenoside R1 is 80418-24-2.
What is the molecular formula of Notoginsenoside R1?
The molecular formula of Notoginsenoside R1 is C47H80O18.
What is the molecular weight of Notoginsenoside R1?
The molecular weight of Notoginsenoside R1 is 932.53 g/mol.
Where can I buy Notoginsenoside R1?
You can request a quote for Notoginsenoside R1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Notoginsenoside R1?
Yes, KEHONG BIO provides custom synthesis services for Notoginsenoside R1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.