171500-82-6
Product Name:
Ristomycin A aglycone, 5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-[2-deoxy-2-[(1-oxododecyl)amino]-β-D-glucopyranuronosyl]-38-[[[3-(dimethylamino)propyl]amino]carbonyl]-42-O-α-D-mannopyranosyl-N15-methyl- (9CI)
Formula:
C88H100Cl2N10O28
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 1816.7 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 21 |
| Hydrogen Bond Acceptor Count | 30 |
| Rotatable Bond Count | 23 |
| Exact Mass | 1814.6085580 g/mol |
| Monoisotopic Mass | 1814.6085580 g/mol |
| Topological Polar Surface Area | 573 Ų |
| Heavy Atom Count | 128 |
| Formal Charge | 0 |
| Complexity | 3720 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 18 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |