101559-98-2
Product Name:
Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI)
Formula:
C36H48O18
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COMPUTED DESCRIPTORS
| Molecular Weight | 768.8 g/mol |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 11 |
| Exact Mass | 768.28406468 g/mol |
| Monoisotopic Mass | 768.28406468 g/mol |
| Topological Polar Surface Area | 271 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1670 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 15 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
CID 74029649 is a natural product found in Brucea javanica with data available.