Macranthoidin A
TL;DR: Macranthoidin A (CAS 140360-29-8) is a chemical compound with molecular formula C59H96O27 and molecular weight 1236.6139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aS,6bR,9R,10S,12aR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-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-carboxylate
Also Known As: Macranthoidin A, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aS,6bR,9R,10S,12aR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-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-carboxylate, (2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)OXAN-2-YL (4AS,6AS,6BR,9R,10S,12AR)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-3,5-DIHYDROXY-6-METHYL-4-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-4,5-DIHYDROXYOXAN-2-YL]OXY}-9-(HYDROXYMETHYL)-2,2,6A,6B,9,12A-HEXAMETHYL-1,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLATE, 3-O-beta-D-Glucopyranosyl-(1-3)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-arabinopyranosyl-3beta,23-dihydroxyolean-12-en-28-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranoside
Technical Specifications
| Molecular Formula | C59H96O27 |
| Molecular Weight | 1236.6139 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 433.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 15 |
| Exact Mass | 1236.6139 Da |
| Heavy Atoms | 86 |
| Complexity | 2390.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4(C([C@]3(C)CO)CC[C@@]5(C4CC=C6[C@]5(CC[C@@]7(C6CC(CC7)(C)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)C)C)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| InChIKey | VUEGHZSQVJADCO-LDNGJIBLSA-N |
Chemical Property Profile of Macranthoidin A
Property Insights of Macranthoidin A
The XLogP value of -1.9 indicates that Macranthoidin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 433.0 Ų indicates high polarity, suggesting Macranthoidin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Macranthoidin A has 16 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Macranthoidin A?
The CAS number of Macranthoidin A is 140360-29-8.
What is the molecular formula of Macranthoidin A?
The molecular formula of Macranthoidin A is C59H96O27.
What is the molecular weight of Macranthoidin A?
The molecular weight of Macranthoidin A is 1236.6139 g/mol.
Where can I buy Macranthoidin A?
You can request a quote for Macranthoidin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Macranthoidin A?
Yes, CoreyChem provides custom synthesis services for Macranthoidin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.