COMPUTED DESCRIPTORS
| Molecular Weight | 1449.6 g/mol |
|---|---|
| XLogP3 | -5.3 |
| Hydrogen Bond Donor Count | 22 |
| Hydrogen Bond Acceptor Count | 34 |
| Rotatable Bond Count | 23 |
| Exact Mass | 1448.7035006 g/mol |
| Monoisotopic Mass | 1448.7035006 g/mol |
| Topological Polar Surface Area | 556 Ų |
| Heavy Atom Count | 100 |
| Formal Charge | 0 |
| Complexity | 2690 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 40 |
| 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
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8R,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Siraitia grosvenorii with data available.