CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 349.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 1221.4 g/mol |
|---|---|
| XLogP3 | -2 |
| Hydrogen Bond Donor Count | 15 |
| Hydrogen Bond Acceptor Count | 26 |
| Rotatable Bond Count | 14 |
| Exact Mass | 1220.61898316 g/mol |
| Monoisotopic Mass | 1220.61898316 g/mol |
| Topological Polar Surface Area | 413 Ų |
| Heavy Atom Count | 85 |
| Formal Charge | 0 |
| Complexity | 2370 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 33 |
| 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
Kalopanaxsaponin B is a triterpenoid saponin with hederagenin as the aglycone part. It has been isolated from the stem bark of Kalopanax pictus. It has a role as an anti-inflammatory agent and a plant metabolite. It is a pentacyclic triterpenoid, a triterpenoid saponin and a carboxylic ester. It is functionally related to a hederagenin.