Glycoside
GD032488
Name:
MANNOMUSTINEFormula:
C12H22O4N2Cl2Smiles:
O[C@@H]([C@H](O)CNCCCl)[C@H](O)[C@H](O)CNCCClAglycone:
CNCCCl.CNCCClSugarmoiety:
OC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 305.2 | Num_heavy_atoms: | 18 |
| TPSA: | 104.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD20833
Formula: C4H8NCl
Smiles:
CNCCCl| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 93.56 | Num_heavy_atoms: | 5 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
