Vallaroside
TL;DR: Vallaroside (CAS 4477-75-2) is a chemical compound with molecular formula C30H46O8 and molecular weight 534.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Vallaroside, Neriifolin, Digitoxigenin3-alpha-L-vallaropyranoside, Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-altropyranosyl)oxy)-14-hydroxy-, 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C30H46O8 |
|---|---|
| Molecular Weight | 534.32 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.3193 |
| Heavy Atoms | 38 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 4477-75-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O |
| InChIKey | VPUNMTHWNSJUOG-LMYROWQCSA-N |
Product Overview
Vallaroside (CAS 4477-75-2), with molecular formula C30H46O8 and molecular weight 534.32 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Vallaroside
Property Insights of Vallaroside
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vallaroside. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vallaroside. Following Lipinski's Rule of Five, Vallaroside has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vallaroside?
The CAS number of Vallaroside is 4477-75-2.
What is the molecular formula of Vallaroside?
The molecular formula of Vallaroside is C30H46O8.
What is the molecular weight of Vallaroside?
The molecular weight of Vallaroside is 534.32 g/mol.
Where can I buy Vallaroside?
You can request a quote for Vallaroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vallaroside?
Yes, KEHONG BIO provides custom synthesis services for Vallaroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.