227179-08-0
Product Name:
Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-22,27-dihydroxy-, δ-lactone, (1α,3β,22R)- (9CI)
Formula:
C36H54O11
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 662.8 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 8 |
| Exact Mass | 662.36661253 g/mol |
| Monoisotopic Mass | 662.36661253 g/mol |
| Topological Polar Surface Area | 172 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1280 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 15 |
| 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
(22R)-1alpha-Acetoxy-3beta-(beta-D-glucopyranosyloxy)-22,27-dihydroxyergosta-5,24-diene-26-oic acid delta-lactone is a natural product found in Physalis peruviana with data available.