37341-38-1
Product Name:
Lanost-7-en-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-[(O-3-O-methyl-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-O-[O-3-O-methyl-β-D-glucopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)]-β-D-xylopyranosyl)oxy]-, γ-lactone, (3β,23S)-
Formula:
C68H110O32
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 1439.6 g/mol |
|---|---|
| XLogP3 | -1.3 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 32 |
| Rotatable Bond Count | 23 |
| Exact Mass | 1438.6980213 g/mol |
| Monoisotopic Mass | 1438.6980213 g/mol |
| Topological Polar Surface Area | 465 Ų |
| Heavy Atom Count | 100 |
| Formal Charge | 0 |
| Complexity | 2800 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 35 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
[(2S)-1-[(2S,5S,6S,12S,13R,16S,18R)-16-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate is a natural product found in Stichopus chloronotus and Thelenota ananas with data available.