34540-22-2
Product Name:
Madecassoside
Formula:
C48H78O20
Synonyms:
Asiaticoside A;Madecassoside;Redermic
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 975.1 g/mol |
|---|---|
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 10 |
| Exact Mass | 974.50864487 g/mol |
| Monoisotopic Mass | 974.50864487 g/mol |
| Topological Polar Surface Area | 335 Ų |
| Heavy Atom Count | 68 |
| Formal Charge | 0 |
| Complexity | 1860 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 28 |
| 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
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aR,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate is a natural product found in Centella asiatica with data available.