MetaADEDB 2.0 @ LMMD
bryophyllin A
(BMRNQSAXDJQXEL-BGJAGFQLSA-N)
Structure
SMILES
O=C[C@@]12[C@H]3C[C@H]4C[C@]2(CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1c1ccc(=O)oc1)C)O[C@@](O3)(O4)C
Molecular Formula:
C26H32O8
Molecular Weight:
472.527
Log P:
2.2512
Hydrogen Bond Acceptor:
8
Hydrogen Bond Donor:
2
TPSA:
115.43
CAS Number(s):
105608-32-0
Synonym(s)
1.
bryophyllin A
2.
bryophyllin-A
3.
bryotoxin C
External Link(s)
MeSHC057147
PubChem Compound5488801
CHEMBLCHEMBL521354
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Neoplasms, Experimental11388478CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120296

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.