73907-85-4
Product Name:
Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-23-hydroxy-, (3β,4α)-
Formula:
C42H68O14
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 797.0 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 8 |
| Exact Mass | 796.46090684 g/mol |
| Monoisotopic Mass | 796.46090684 g/mol |
| Topological Polar Surface Area | 236 Ų |
| Heavy Atom Count | 56 |
| Formal Charge | 0 |
| Complexity | 1510 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 17 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(4aS,6aS,6bR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid is a triterpenoid saponin.