Glycoside
GD008309
Name:
NoneFormula:
C16H20O8N3BrSmiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2nc(CBr)cc2C(N)=O)[C@@H]1OC(C)=OAglycone:
NC(=O)C1=CC(CBr)=N[N]1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.25 | Num_heavy_atoms: | 28 |
| TPSA: | 149.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD06646
Formula: C5H5ON3Br
Smiles:
NC(=O)C1=CC(CBr)=N[N]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 203.02 | Num_heavy_atoms: | 10 |
| TPSA: | 69.55 | NumAromaticRings: | 0 |
