Transsylvanoside B
TL;DR: Transsylvanoside B (CAS 159407-52-0) is a chemical compound with molecular formula C53H86O22 and molecular weight 1074.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5S,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-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Transsylvanoside B, Triterpenoid Glycoside, KST-1A1851, (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5S,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-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (3
| Molecular Formula | C53H86O22 |
|---|---|
| Molecular Weight | 1074.56 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 354.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 1074.561 |
| Heavy Atoms | 75 |
| Complexity | 2060.0 |
Chemical Identifiers
| CAS Number | 159407-52-0 |
|---|---|
| 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)O)O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O |
| InChIKey | NGAGFMFFVYLRPZ-BTCOKJEUSA-N |
Product Overview
Transsylvanoside B (CAS 159407-52-0), with molecular formula C53H86O22 and molecular weight 1074.56 g/mol. IUPAC: (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5S,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-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Transsylvanoside B
Property Insights of Transsylvanoside B
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Transsylvanoside B. The TPSA of 354.0 Ų indicates high polarity, suggesting Transsylvanoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Transsylvanoside B has 13 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 Transsylvanoside B?
The CAS number of Transsylvanoside B is 159407-52-0.
What is the molecular formula of Transsylvanoside B?
The molecular formula of Transsylvanoside B is C53H86O22.
What is the molecular weight of Transsylvanoside B?
The molecular weight of Transsylvanoside B is 1074.56 g/mol.
Where can I buy Transsylvanoside B?
You can request a quote for Transsylvanoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Transsylvanoside B?
Yes, KEHONG BIO provides custom synthesis services for Transsylvanoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.