Chemical Property of Waglerin I (Trimeresurus wagleri venom reduced)
Chemical Property:
- XLogP3:-10.8
- Hydrogen Bond Donor Count:31
- Hydrogen Bond Acceptor Count:36
- Rotatable Bond Count:73
- Exact Mass:2521.3140461
- Heavy Atom Count:177
- Complexity:5910
- Purity/Quality:
-
90% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
Useful:
- Canonical SMILES:CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)N3CCCC3C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5C=NC=N5)NC(=O)C(CS)NC(=O)C6CCCN6C(=O)C7CCCN7C(=O)C(CC8C=NC=N8)NC(=O)C(CS)NC(=O)C9CCCN9C(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)CNC(=O)CN
- Isomeric SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5C=NC=N5)NC(=O)[C@H](CS)NC(=O)[C@@H]6CCCN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CC8C=NC=N8)NC(=O)[C@H](CS)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)CN
