114590-20-4
Product Name:
Soyasaponin Ba
Formula:
C48H78O19
Synonyms:
Soyasaponin M2;Soyasaponin V
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 959.1 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 10 |
| Exact Mass | 958.51373025 g/mol |
| Monoisotopic Mass | 958.51373025 g/mol |
| Topological Polar Surface Area | 315 Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1840 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 25 |
| 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,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,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-3,4-dihydroxyoxane-2-carboxylic acid is a natural product found in Lotus uliginosus, Lotus pedunculatus, and other organisms with data available.