171500-81-5
Product Name:
Ristomycin A aglycone, 5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-[2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-β-D-glucopyranuronosyl]-38-[[[3-(dimethylamino)propyl]amino]carbonyl]-42-O-α-D-mannopyranosyl-N15-methyl- (9CI)
Formula:
C87H98Cl2N10O28
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COMPUTED DESCRIPTORS
| Molecular Weight | 1802.7 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 21 |
| Hydrogen Bond Acceptor Count | 30 |
| Rotatable Bond Count | 21 |
| Exact Mass | 1800.5929079 g/mol |
| Monoisotopic Mass | 1800.5929079 g/mol |
| Topological Polar Surface Area | 573 Ų |
| Heavy Atom Count | 127 |
| 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 |