82801-39-6
Product Name:
β-D-Glucopyranosiduronic acid, (3β,4β,20α)-29-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-23-hydroxy-29-oxoolean-12-en-3-yl 2-O-β-D-glucopyranosyl-
Formula:
C54H86O25
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 1135.2 g/mol |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 15 |
| Hydrogen Bond Acceptor Count | 25 |
| Rotatable Bond Count | 14 |
| Exact Mass | 1134.54581822 g/mol |
| Monoisotopic Mass | 1134.54581822 g/mol |
| Topological Polar Surface Area | 411 Ų |
| Heavy Atom Count | 79 |
| Formal Charge | 0 |
| Complexity | 2230 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 30 |
| 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,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,11R,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid is a natural product found in Vigna angularis with data available.