Dregeoside B
TL;DR: Dregeoside B (CAS 147783-69-5) is a chemical compound with molecular formula C53H90O22 and molecular weight 1078.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[5-[5-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate
Also Known As: Dregeoside B, 3-{[hexopyranosyl-(1-, [8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[5-[5-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate, 12,20-Di-O-isovaleryltomentogenin-3-O-alpha-oleandopyranosyl-(1-4)-alpha-oleandropyranoside, 3-{[hexopyranosyl-(1->4)-6-deoxy-3-o-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-o-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-o-methylhexopyranosyl]oxy}-8,14,17,20-tetrahydroxypregnan-12-yl 3-methylbutanoate
| Molecular Formula | C53H90O22 |
|---|---|
| Molecular Weight | 1078.59 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 310.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 17 |
| Exact Mass | 1078.5924 |
| Heavy Atoms | 75 |
| Complexity | 1920.0 |
Chemical Identifiers
| CAS Number | 147783-69-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4(C3CC(C5(C4(CCC5(C(C)O)O)O)C)OC(=O)CC(C)C)O)C)OC)OC6CC(C(C(O6)C)OC7C(C(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC)O)OC |
| InChIKey | CEJNPQORURWPJT-UHFFFAOYSA-N |
Product Overview
Dregeoside B (CAS 147783-69-5), with molecular formula C53H90O22 and molecular weight 1078.59 g/mol. IUPAC: [8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[5-[5-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate.
Chemical Property Profile of Dregeoside B
Property Insights of Dregeoside B
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dregeoside B. The TPSA of 310.0 Ų indicates high polarity, suggesting Dregeoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dregeoside B has 9 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 Dregeoside B?
The CAS number of Dregeoside B is 147783-69-5.
What is the molecular formula of Dregeoside B?
The molecular formula of Dregeoside B is C53H90O22.
What is the molecular weight of Dregeoside B?
The molecular weight of Dregeoside B is 1078.59 g/mol.
Where can I buy Dregeoside B?
You can request a quote for Dregeoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dregeoside B?
Yes, KEHONG BIO provides custom synthesis services for Dregeoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.