Glycoside
GD018749
Name:
ENOCITABINEFormula:
C31H55O6N3Smiles:
CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 5.62 | Num_rotatable_bonds: | 23 |
| MolWt: | 565.8 | Num_heavy_atoms: | 40 |
| TPSA: | 133.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD08525
Formula: C26H47O2N3
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cc[nH]c(=O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 7.53 | Num_rotatable_bonds: | 21 |
| MolWt: | 433.68 | Num_heavy_atoms: | 31 |
| TPSA: | 74.85 | NumAromaticRings: | 1 |
