Glycoside
GD008177
Name:
RANIMUSTINEFormula:
C11H18O7N3ClSmiles:
CO[C@@H]1O[C@H](CNC(=O)N(CCCl)N=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=O)N(CCCl)N=OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 327.72 | Num_heavy_atoms: | 21 |
| TPSA: | 140.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD06568
Formula: C5H8O2N3Cl
Smiles:
CNC(=O)N(CCCl)N=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.58 | Num_heavy_atoms: | 10 |
| TPSA: | 61.77 | NumAromaticRings: | 0 |
