Chemical Property of CID 6443859
Chemical Property:
- XLogP3:6.8
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:13
- Rotatable Bond Count:13
- Exact Mass:850.54424254
- Heavy Atom Count:60
- Complexity:1540
- Purity/Quality:
-
95% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
Useful:
- Canonical SMILES:CC1CCC(OC12C(CC(O2)C3C(CC(C(O3)(CO)O)C)C)C)C4(CCC5(O4)C(C(CC(O5)C(C)C=C(C)C(=O)C(C)CC(C)C(=O)O)OC6CCC(C(O6)C)OC)C)C
- Isomeric SMILES:C[C@@H]1CC[C@@H](OC12[C@H](C[C@@H](O2)[C@@H]3[C@H](C[C@@H]([C@@](O3)(CO)O)C)C)C)[C@@]4(CC[C@@]5(O4)[C@@H]([C@@H](C[C@H](O5)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)O[C@H]6CC[C@@H]([C@H](O6)C)OC)C)C