Chemical Property of Neohyacinthoside
Chemical Property:
- Boiling Point:°Cat760mmHg
- PKA:12?+-.0.70(Predicted)
- Flash Point:°C
- Density:1.54g/cm3
- XLogP3:-1.7
- Hydrogen Bond Donor Count:16
- Hydrogen Bond Acceptor Count:26
- Rotatable Bond Count:13
- Exact Mass:1191.60366745
- Heavy Atom Count:83
- Complexity:2260
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)C7(C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C
- Isomeric SMILES:C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CCC5[C@H]4CC=C6[C@@]5(CCC(C6)[C@]7([C@@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C