Sepositoside A
TL;DR: Sepositoside A (CAS 79154-52-2) is a chemical compound with molecular formula C45H70O18 and molecular weight 898.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,24R,30R,31R,35R)-6,7,13,14,18,19,20-heptahydroxy-12-(hydroxymethyl)-31,35-dimethyl-30-[(2R)-6-methyl-4-oxoheptan-2-yl]-2,4,9,11,16,23,40-heptaoxaoctacyclo[22.13.2.117,21.03,8.010,15.026,34.027,31.035,39]tetracont-25-ene-5-carboxylic acid
Also Known As: Sepositoside A, (7~1~R,7~5~R,7~7~S,7~9a~R,7~11a~R)-1~3~,1~4~,1~5~,3~4~,3~5~,5~4~,5~5~-Heptahydroxy-3~6~-(hydroxymethyl)-7~9a~,7~11a~-dimethyl-7~1~-[(2R)-6-methyl-4-oxoheptan-2-yl]-7~2~,7~3~,7~3a~,7~5~,7~5a~,7~6~,7~7~,7~8~,7~9~,7~9a~,7~9b~,7~10~,7~11~,7~11a~-tetradecahydro-7~1~H-2,4,6,8-tetraoxa-1(2,6),3,5(3,2)-trioxana-7(7,5)-cyclopenta[a]phenanthrenacyclononaphane-5~6~-carboxylic acid
| Molecular Formula | C45H70O18 |
|---|---|
| Molecular Weight | 898.46 g/mol |
| LogP | 0.149 |
| Topological Polar Surface Area | 280.82 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 898.45624 |
| Heavy Atoms | 63 |
| Complexity | 1679.3433 |
Chemical Identifiers
| CAS Number | 79154-52-2 |
|---|---|
| SMILES | C[C@H](CC(=O)CC(C)C)[C@H]1CCC2[C@@]1(CCC3C2=C[C@@H]4C5[C@@]3(CC[C@@H](C5)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO4)O)O)O)C)C |
Product Overview
Sepositoside A (CAS 79154-52-2), with molecular formula C45H70O18 and molecular weight 898.46 g/mol. IUPAC: (1S,24R,30R,31R,35R)-6,7,13,14,18,19,20-heptahydroxy-12-(hydroxymethyl)-31,35-dimethyl-30-[(2R)-6-methyl-4-oxoheptan-2-yl]-2,4,9,11,16,23,40-heptaoxaoctacyclo[22.13.2.117,21.03,8.010,15.026,34.027,31.035,39]tetracont-25-ene-5-carboxylic acid.
Chemical Property Profile of Sepositoside A
Property Insights of Sepositoside A
The XLogP value of 0.149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sepositoside A. The TPSA of 280.82 Ų indicates high polarity, suggesting Sepositoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sepositoside A has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sepositoside A?
The CAS number of Sepositoside A is 79154-52-2.
What is the molecular formula of Sepositoside A?
The molecular formula of Sepositoside A is C45H70O18.
What is the molecular weight of Sepositoside A?
The molecular weight of Sepositoside A is 898.46 g/mol.
Where can I buy Sepositoside A?
You can request a quote for Sepositoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sepositoside A?
Yes, KEHONG BIO provides custom synthesis services for Sepositoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.