Chemical Property of Nobotanin I
Chemical Property:
- PKA:5.13±0.70(Predicted)
- PSA：933.12000
- Density:2.31±0.1 g/cm3(Predicted)
- LogP:4.74400
- XLogP3:5.1
- Hydrogen Bond Donor Count:30
- Hydrogen Bond Acceptor Count:56
- Rotatable Bond Count:10
- Exact Mass:2022.1690705
- Heavy Atom Count:145
- Complexity:4670
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:C1C2C3C4C(C(O2)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O4)OC8=C(C(=C(C=C8C(=O)OC9C(OC(C2C9OC(=O)C4=CC(=C(C(=C4C4=C(C(=C(C=C4C(=O)O2)OC2=C(C(=C(C=C2C(=O)OC2=C(C(=C(C(=C2)C(=O)O1)C1=C(C(=C(C=C1C(=O)O3)O)O)O)O)O)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)COC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O
