31297-79-7
Product Name:
(2alpha,3beta,19alpha)-2,3,19-Trihydroxyolean-12-en-28-oic acid beta-D-glucopyranosyl ester
Formula:
C36H58O10
Synonyms:
(2α,3β,49α)- 2,3,19-Trihydroxyolean-12-en-28-oic acid β-D -glucopyranosyl ester;24-Deoxysericoside
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 650.8 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 650.40299804 g/mol |
| Monoisotopic Mass | 650.40299804 g/mol |
| Topological Polar Surface Area | 177 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1230 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 13 |
| Undefined Atom Stereocenter Count | 1 |
| 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)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,10S,11S,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is a natural product found in Terminalia alata, Terminalia arjuna, and Potentilla erecta with data available.