Glycoside
GD025398
Name:
NoneFormula:
C14H27O7N4BrSmiles:
NC[C@@H]1O[C@H](OC2C(N)CC(N)C(O)C2O)[C@H](NC(=O)CBr)[C@H](O)[C@H]1OAglycone:
NC(=O)CBr.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -4.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 443.3 | Num_heavy_atoms: | 26 |
| TPSA: | 206.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD07218
Formula: C2H4ONBr
Smiles:
NC(=O)CBr| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.96 | Num_heavy_atoms: | 5 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
