sceptrumgenin 3-O-lycotetraoside
TL;DR: sceptrumgenin 3-O-lycotetraoside (CAS 139367-82-1) is a chemical compound with molecular formula C50H78O22 and molecular weight 1030.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Sceptrumgenin 3-O-lycotetraoside, SC-3-LY, 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, beta-D-Galactopyranoside, (3beta)-spirosta-5,25(27)-dien-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-, Spirosta-5,25(27)-dien-3-yl hexopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranoside
| Molecular Formula | C50H78O22 |
|---|---|
| Molecular Weight | 1030.50 g/mol |
| LogP | -2.4301 |
| Topological Polar Surface Area | 335.06 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 1030.4984 |
| Heavy Atoms | 72 |
| Complexity | 1931.6462 |
Chemical Identifiers
| CAS Number | 139367-82-1 |
|---|---|
| SMILES | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC11CCC(=C)CO1 |
Product Overview
sceptrumgenin 3-O-lycotetraoside (CAS 139367-82-1), with molecular formula C50H78O22 and molecular weight 1030.50 g/mol. IUPAC: 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of sceptrumgenin 3-O-lycotetraoside
Property Insights of sceptrumgenin 3-O-lycotetraoside
The XLogP value of -2.4301 indicates that sceptrumgenin 3-O-lycotetraoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 335.06 Ų indicates high polarity, suggesting sceptrumgenin 3-O-lycotetraoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, sceptrumgenin 3-O-lycotetraoside has 12 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of sceptrumgenin 3-O-lycotetraoside?
The CAS number of sceptrumgenin 3-O-lycotetraoside is 139367-82-1.
What is the molecular formula of sceptrumgenin 3-O-lycotetraoside?
The molecular formula of sceptrumgenin 3-O-lycotetraoside is C50H78O22.
What is the molecular weight of sceptrumgenin 3-O-lycotetraoside?
The molecular weight of sceptrumgenin 3-O-lycotetraoside is 1030.50 g/mol.
Where can I buy sceptrumgenin 3-O-lycotetraoside?
You can request a quote for sceptrumgenin 3-O-lycotetraoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sceptrumgenin 3-O-lycotetraoside?
Yes, KEHONG BIO provides custom synthesis services for sceptrumgenin 3-O-lycotetraoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.