Triploside B
TL;DR: Triploside B (CAS 141544-44-7) is a chemical compound with molecular formula C62H100O27 and molecular weight 1276.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-5-hydroxy-6-methyl-3,4-bis[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Triploside B, (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-5-hydroxy-6-methyl-3,4-bis[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, Oleanolic acid 3-O-beta-xylopyranosyl(1-3)-beta-D-xylopyranosyl(1-4)-alpha L-rhamnopyranosyl(1-3)-beta-D-xylopyranosyl(1-3)-alpha-L-rhamnopyranosyl(1-2)-alpha-L-arabinopyranoside, Olean-12-en-28-oic acid, 3-((O-beta-D-xylopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-3)-O-6-doexy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, (3beta)-
| Molecular Formula | C62H100O27 |
|---|---|
| Molecular Weight | 1276.65 g/mol |
| LogP | -1.2096 |
| Topological Polar Surface Area | 411.05 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 13 |
| Exact Mass | 1276.6451 |
| Heavy Atoms | 89 |
| Complexity | 2509.3113 |
Chemical Identifiers
| CAS Number | 141544-44-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CO[C@H]([C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O[C@@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O[C@H]7CC[C@@]8([C@H]9CC=C1[C@H]2CC(CC[C@@]2(CC[C@]1([C@@]9(CCC8C7(C)C)C)C)C(=O)O)(C)C)C)O)O)O |
Product Overview
Triploside B (CAS 141544-44-7), with molecular formula C62H100O27 and molecular weight 1276.65 g/mol. IUPAC: (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-5-hydroxy-6-methyl-3,4-bis[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Triploside B
Property Insights of Triploside B
The XLogP value of -1.2096 indicates that Triploside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 411.05 Ų indicates high polarity, suggesting Triploside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triploside B has 14 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triploside B?
The CAS number of Triploside B is 141544-44-7.
What is the molecular formula of Triploside B?
The molecular formula of Triploside B is C62H100O27.
What is the molecular weight of Triploside B?
The molecular weight of Triploside B is 1276.65 g/mol.
Where can I buy Triploside B?
You can request a quote for Triploside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triploside B?
Yes, KEHONG BIO provides custom synthesis services for Triploside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.