COMPUTED DESCRIPTORS
| Molecular Weight | 315.32 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 315.12190603 g/mol |
| Monoisotopic Mass | 315.12190603 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 574 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Anthramycin is a member of the class of pyrrolobenzodiazepines that is (11aS)-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine substituted at positions 2, 5, 8, 9 and 11R by a (1E)-3-amino-3-oxoprop-1-en-1-yl, oxo, methyl, hydroxy and hydroxy groups, respectively. It is a natural product isolated from Streptomyces refuineus subsp. thermotolerans. It has a role as a bacterial metabolite, an alkylating agent, a toxin, an antineoplastic agent and an antibacterial agent. It is a pyrrolobenzodiazepine, a member of phenols, a primary amide and an enamide.