Gentiodelphin
TL;DR: Gentiodelphin (CAS 84331-34-0) is a chemical compound with molecular formula C51H53O28+ and molecular weight 1113.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-6-[5-[5-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Gentiodelphin, 2-[3,4-Dihydroxy-5-[6-O-(3,4-dihydroxy-trans-cinnamoyl)-beta-D-glucopyranosyloxy]phenyl]-3-(beta-D-glucopyranosyloxy)-5-[6-O-(3,4-dihydroxy-cis-cinnamoyl)-beta-D-glucopyranosyloxy]-7-hydroxy-1-benzopyrylium, [(2R,3S,4S,5R,6S)-6-[5-[5-[(2S,3R,4S,5S,6R)-6-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
| Molecular Formula | C51H53O28+ |
|---|---|
| Molecular Weight | 1113.27 g/mol |
| LogP | -1.6152 |
| Topological Polar Surface Area | 453.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 18 |
| Exact Mass | 1113.2723 |
| Heavy Atoms | 79 |
| Complexity | 2020.0 |
Chemical Identifiers
| CAS Number | 84331-34-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3O)O)C4=C(C=C5C(=CC(=CC5=[O+]4)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C=CC7=CC(=C(C=C7)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O)O |
| InChIKey | CMHKKALEZOJWDP-JXKRDHHRSA-O |
Product Overview
Gentiodelphin (CAS 84331-34-0), with molecular formula C51H53O28+ and molecular weight 1113.27 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-6-[5-[5-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Gentiodelphin
Property Insights of Gentiodelphin
The XLogP value of -1.6152 indicates that Gentiodelphin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 453.0 Ų indicates high polarity, suggesting Gentiodelphin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gentiodelphin has 17 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gentiodelphin?
The CAS number of Gentiodelphin is 84331-34-0.
What is the molecular formula of Gentiodelphin?
The molecular formula of Gentiodelphin is C51H53O28+.
What is the molecular weight of Gentiodelphin?
The molecular weight of Gentiodelphin is 1113.27 g/mol.
Where can I buy Gentiodelphin?
You can request a quote for Gentiodelphin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gentiodelphin?
Yes, KEHONG BIO provides custom synthesis services for Gentiodelphin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.