Floribundasaponin D
TL;DR: Floribundasaponin D (CAS 68406-03-1) is a chemical compound with molecular formula C57H92O24 and molecular weight 1160.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(5'R,6R,7S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Floribundasaponin D, 2-[6-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(5'R,6R,7S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol, beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-6-dexoy-alpha-L-mannopyranosyl-(1-4)-, b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1(R)3)-O-6-deoxy-a-L-mannopyranosyl-(1(R)3)-O-6-deoxy-a-L-mannopyranosyl-(1(R)3)-O-6-deoxy-a-L-mannopyranosyl-(1(R)4)- (9CI), b-D-Glucopyranoside,(3b,25r)-spirost-5-en-3-ylo-6-deoxy-a-L-mannopyranosyl-(1(R)3)-O-6-deoxy-a-L-mannopyranosyl-(1(R)3)-O-6-deoxy-a-L-mannopyranosyl-(1(R)3)-O-6-deoxy-a-L-mannopyranosyl-(1(R)
| Molecular Formula | C57H92O24 |
|---|---|
| Molecular Weight | 1160.60 g/mol |
| LogP | -1.0547 |
| Topological Polar Surface Area | 353.52 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 11 |
| Exact Mass | 1160.5979 |
| Heavy Atoms | 81 |
| Complexity | 2187.0122 |
Chemical Identifiers
| CAS Number | 68406-03-1 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)OC2C(C(C(C(O2)C)OC2C(C(C(C(O2)C)O)O)O)O)O)O)O)O)O)O)O)C)C)C)OC1 |
Product Overview
Floribundasaponin D (CAS 68406-03-1), with molecular formula C57H92O24 and molecular weight 1160.60 g/mol. IUPAC: 2-[6-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(5'R,6R,7S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Floribundasaponin D
Property Insights of Floribundasaponin D
The XLogP value of -1.0547 indicates that Floribundasaponin D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 353.52 Ų indicates high polarity, suggesting Floribundasaponin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Floribundasaponin D has 12 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Floribundasaponin D?
The CAS number of Floribundasaponin D is 68406-03-1.
What is the molecular formula of Floribundasaponin D?
The molecular formula of Floribundasaponin D is C57H92O24.
What is the molecular weight of Floribundasaponin D?
The molecular weight of Floribundasaponin D is 1160.60 g/mol.
Where can I buy Floribundasaponin D?
You can request a quote for Floribundasaponin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Floribundasaponin D?
Yes, KEHONG BIO provides custom synthesis services for Floribundasaponin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.