saikosaponin
(KYWSCMDFVARMPN-LCSVLAELSA-N)
Structure
- SMILES
- OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)C)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3C=C[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4CC(C)(C)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
- Molecular Formula:
- C42H68O13
- Molecular Weight:
- 780.982
- Log P:
- 1.7769
- Hydrogen Bond Acceptor:
- 13
- Hydrogen Bond Donor:
- 8
- TPSA:
- 207.99
- CAS Number(s):
- 20874-52-6
Synonym(s)
1.
saikosaponin
2.
saikosaponin A
3.
saikosaponin B
4.
saikosaponin B1
5.
saikosaponin B2
6.
saikosaponin B3
7.
saikosaponin B4
8.
saikosaponin C
9.
saikosaponin D
10.
saikosaponin K
11.
saikosaponin L
12.
saikosaponins
External Link(s)
| MeSH | C025759 |
| PubChem Compound | 107793 |
| CHEMBL | CHEMBL3613719 |
| ZINC | 247647500 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chemical and Drug Induced Liver Injury | 23994742 25265579 | CTD | |
| 2 | Cognition Disorders | 31175886 | CTD | |
| 3 | Dermatitis, Allergic Contact | 16945185 | CTD | |
| 4 | Fibrosis | 30611790 | CTD | |
| 5 | Memory Disorders | 29129800 | CTD | |
| 6 | Pancreatitis, Chronic | 30611790 | CTD | |
| 7 | Proteinuria | 3948917 | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120237
Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.