126105-11-1
Product Name:
(24R)-3β-[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyloxy]-24-[2-O,6-O-bis(β-D-glucopyranosyl)-β-D-glucopyranosyloxy]25-hydroxycucurbita-5-ene-11-one
Formula:
C60H100O29
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 1285.4 g/mol |
|---|---|
| XLogP3 | -4 |
| Hydrogen Bond Donor Count | 18 |
| Hydrogen Bond Acceptor Count | 29 |
| Rotatable Bond Count | 20 |
| Exact Mass | 1284.63502715 g/mol |
| Monoisotopic Mass | 1284.63502715 g/mol |
| Topological Polar Surface Area | 474 Ų |
| Heavy Atom Count | 89 |
| Formal Charge | 0 |
| Complexity | 2410 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 34 |
| 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
(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one is a natural product found in Siraitia grosvenorii and Siraitia siamensis with data available.