Glycoside
GD008102
Name:
ASPACYTARABINE HYDROCHLORIDEFormula:
C13H18O8N4Smiles:
N[C@H](CC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1)C(=O)OAglycone:
NC(CC(=O)Nc1cc[nH]c(=O)n1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.31 | Num_heavy_atoms: | 25 |
| TPSA: | 197.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD06515
Formula: C8H10O4N4
Smiles:
NC(CC(=O)Nc1cc[nH]c(=O)n1)C(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 226.19 | Num_heavy_atoms: | 16 |
| TPSA: | 138.17 | NumAromaticRings: | 1 |
