61276-16-2
Product Name:
[(1R,6S,7S,8R,9R)-4-(3,4-dihydroxyphenyl)-9-(hydroxymethyl)-7-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-2,5,10-trioxabicyclo[4.4.0]dec-8-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Formula:
C29H34O15
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 622.6 g/mol |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 8 |
| Exact Mass | 622.18977037 g/mol |
| Monoisotopic Mass | 622.18977037 g/mol |
| Topological Polar Surface Area | 234 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 982 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Oraposide is a natural product found in Orobanche crenata and Orobanche rapum-genistae with data available.