Gycomoside I
TL;DR: Gycomoside I (CAS 150626-50-9) is a chemical compound with molecular formula C42H72O15 and molecular weight 816.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E,2R)-7-hydroxy-6-methyl-2-[(10R,12R,13S,14R,17S)-1,3,12-trihydroxy-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oct-5-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Also Known As: Gycomoside I, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E,2R)-7-hydroxy-6-methyl-2-[(10R,12R,13S,14R,17S)-1,3,12-trihydroxy-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oct-5-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol, 1,3,12,20,26-Pentahydroxydammar-24(25)-ene-20-O-glucopyranosyl-1-6-glucopyranoside, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E,2R)-7-hydroxy-6-methyl-2-[(10R,12R,13S,14R,17S)-1,3,12-trihydroxy-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oct-5-en-
| Molecular Formula | C42H72O15 |
|---|---|
| Molecular Weight | 816.49 g/mol |
| LogP | 0.0906 |
| Topological Polar Surface Area | 259.45 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 816.4871 |
| Heavy Atoms | 57 |
| Complexity | 1410.8131 |
Chemical Identifiers
| CAS Number | 150626-50-9 |
|---|---|
| SMILES | CC(/C(=C/CC[C@](C)([C@H]1CC[C@]2([C@H]1[C@@H](CC3C2CCC4[C@@]3(C(CC(C4(C)C)O)O)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)/C)O |
Product Overview
Gycomoside I (CAS 150626-50-9), with molecular formula C42H72O15 and molecular weight 816.49 g/mol. IUPAC: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E,2R)-7-hydroxy-6-methyl-2-[(10R,12R,13S,14R,17S)-1,3,12-trihydroxy-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oct-5-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol.
Chemical Property Profile of Gycomoside I
Property Insights of Gycomoside I
The XLogP value of 0.0906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gycomoside I. The TPSA of 259.45 Ų indicates high polarity, suggesting Gycomoside I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gycomoside I has 11 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 Gycomoside I?
The CAS number of Gycomoside I is 150626-50-9.
What is the molecular formula of Gycomoside I?
The molecular formula of Gycomoside I is C42H72O15.
What is the molecular weight of Gycomoside I?
The molecular weight of Gycomoside I is 816.49 g/mol.
Where can I buy Gycomoside I?
You can request a quote for Gycomoside I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gycomoside I?
Yes, KEHONG BIO provides custom synthesis services for Gycomoside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.