889640-30-6
Product Name:
[10b,10'b(11H,11'H)-Bi-3,11a-epidithio-11aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole]-1,1',4,4'-tetrone, 2,2',3,3',5a,5'a,6,6'-octahydro-11,11'-dihydroxy-2,2',3,3'-tetramethyl-, (3S,3'S,5aR,5'aR,10bS,10'bS,11S,11'S,11aS,11'aS)- (9CI)
Formula:
C30H28N6O6S4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 696.8 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 1 |
| Exact Mass | 696.09531733 g/mol |
| Monoisotopic Mass | 696.09531733 g/mol |
| Topological Polar Surface Area | 247 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1430 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Verticillin A [MI] is a natural product found in Verticillium with data available.