Anemarsaponin B
TL;DR: Anemarsaponin B (CAS 139051-27-7) is a chemical compound with molecular formula C45H74O18 and molecular weight 902.4875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S,5S,6R)-2-[4-[(4S,8S,9S,13S)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Anemarsaponin B, Timosaponin B-, Anemarsaponin BII, ANEMARSAPONIN B (REFERENCE GRADE), SID:172819138
Technical Specifications
| Molecular Formula | C45H74O18 |
| Molecular Weight | 902.4875 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 287.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 902.4875 Da |
| Heavy Atoms | 63 |
| Complexity | 1590.0 |
| SMILES | CC1=C(O[C@@H]2[C@H]1[C@]3(CCC4C(C3C2)CCC5[C@@]4(CCC(C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)CCC(C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O |
| InChIKey | ROHLIYKWVMBBFX-DWGYQJTISA-N |
Chemical Property Profile of Anemarsaponin B
Property Insights of Anemarsaponin B
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anemarsaponin B. The TPSA of 287.0 Ų indicates high polarity, suggesting Anemarsaponin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anemarsaponin B has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Anemarsaponin B?
The CAS number of Anemarsaponin B is 139051-27-7.
What is the molecular formula of Anemarsaponin B?
The molecular formula of Anemarsaponin B is C45H74O18.
What is the molecular weight of Anemarsaponin B?
The molecular weight of Anemarsaponin B is 902.4875 g/mol.
Where can I buy Anemarsaponin B?
You can request a quote for Anemarsaponin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Anemarsaponin B?
Yes, CoreyChem provides custom synthesis services for Anemarsaponin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.