andirobicin A glucoside
TL;DR: andirobicin A glucoside (CAS 151703-09-2) is a chemical compound with molecular formula C36H54O12 and molecular weight 678.3615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,9R,13R,16R,17R)-17-[(E,2R)-2,3-dihydroxy-6-methoxy-6-methylhept-4-en-2-yl]-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one
Also Known As: Andirobicin A glucoside, (8S,9R,13R,16R,17R)-17-[(E,2R)-2,3-dihydroxy-6-methoxy-6-methylhept-4-en-2-yl]-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one, 19-nor-1,2,3,4,5,10-dehydro-25-methoxy-2-O-glucopyranosyl-3,16,20,22-tetrahydroxy-11-oxocucurbit-23-ene, 19-Norcholesta-1,3,5(10),23-tetraen-11-one, 2-(beta-D-glucopyranosyloxy)-3,16,20,22-tetrahydroxy-25-methoxy-4,9,14-trimethyl-, (9beta,16alpha)-, 29-Nor-1,2,3,4,5,10-dehydro-25-methoxy-2-O-glucopyranosyl-3,16,20,22-tetrahydroxy-11-oxocucurbit-23-ene
Technical Specifications
| Molecular Formula | C36H54O12 |
| Molecular Weight | 678.3615 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 678.3615 Da |
| Heavy Atoms | 48 |
| Complexity | 1230.0 |
| SMILES | CC1=C2CC[C@@H]3[C@](C2=CC(=C1O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)(C(=O)C[C@]5(C3(C[C@H]([C@@H]5[C@](C)(C(/C=C/C(C)(C)OC)O)O)O)C)C)C |
| InChIKey | FSGJPKCVUUKVDV-IRFBWZKWSA-N |
Chemical Property Profile of andirobicin A glucoside
Property Insights of andirobicin A glucoside
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for andirobicin A glucoside. The TPSA of 207.0 Ų indicates high polarity, suggesting andirobicin A glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, andirobicin A glucoside has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of andirobicin A glucoside?
The CAS number of andirobicin A glucoside is 151703-09-2.
What is the molecular formula of andirobicin A glucoside?
The molecular formula of andirobicin A glucoside is C36H54O12.
What is the molecular weight of andirobicin A glucoside?
The molecular weight of andirobicin A glucoside is 678.3615 g/mol.
Where can I buy andirobicin A glucoside?
You can request a quote for andirobicin A glucoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for andirobicin A glucoside?
Yes, CoreyChem provides custom synthesis services for andirobicin A glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.