Datiscoside
TL;DR: Datiscoside (CAS 36067-56-8) is a chemical compound with molecular formula C38H54O12 and molecular weight 702.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-6-methyl-4-oxooxan-3-yl] acetate
Also Known As: Datiscoside, Datisca principle A, CUCURBITACIN D DEHYDROEPIRHAMNOSIDE, (10alpha)-16alpha-[(2-O-acetyl-6-deoxy-alpha-L-ribo-hexopyranos-3-ulos-1-yl)oxy]-2beta,20,25-trihydroxy-9beta-methyl-19-norlanosta-5,23(E)-diene-3,11,22-trione, (2I(2),9I(2),10I+/-,16I+/-,23E)-16-[(2-O-Acetyl-6-deoxy-I+/--L-ribo-hexopyranos-3-ulos-1-yl)oxy]-2,20,25-trihydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trione
| Molecular Formula | C38H54O12 |
|---|---|
| Molecular Weight | 702.36 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 702.3615 |
| Heavy Atoms | 50 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 36067-56-8 |
|---|---|
| SMILES | CC1C(C(=O)C(C(O1)OC2CC3(C4CC=C5C(C4(C(=O)CC3(C2C(C)(C(=O)C=CC(C)(C)O)O)C)C)CC(C(=O)C5(C)C)O)C)OC(=O)C)O |
| InChIKey | RRPAPBCRZGEXTR-UHFFFAOYSA-N |
Product Overview
Datiscoside (CAS 36067-56-8), with molecular formula C38H54O12 and molecular weight 702.36 g/mol. IUPAC: [2-[[17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-6-methyl-4-oxooxan-3-yl] acetate.
Chemical Property Profile of Datiscoside
Property Insights of Datiscoside
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Datiscoside. The TPSA of 194.0 Ų indicates high polarity, suggesting Datiscoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Datiscoside has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Datiscoside?
The CAS number of Datiscoside is 36067-56-8.
What is the molecular formula of Datiscoside?
The molecular formula of Datiscoside is C38H54O12.
What is the molecular weight of Datiscoside?
The molecular weight of Datiscoside is 702.36 g/mol.
Where can I buy Datiscoside?
You can request a quote for Datiscoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Datiscoside?
Yes, KEHONG BIO provides custom synthesis services for Datiscoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.