Glycoside
GD007396
Name:
NoneFormula:
C24H33O7N7Smiles:
NC(=O)CCNC1=C2N=CN([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)C2N=CN1NCCc1ccc(CCC(=O)O)cc1Aglycone:
NC(=O)CCNC1=C2N=CNC2N=CN1NCCc1ccc(CCC(=O)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 531.57 | Num_heavy_atoms: | 38 |
| TPSA: | 205.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD06028
Formula: C19H25O3N7
Smiles:
NC(=O)CCNC1=C2N=CNC2N=CN1NCCc1ccc(CCC(=O)O)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 399.46 | Num_heavy_atoms: | 29 |
| TPSA: | 144.44 | NumAromaticRings: | 1 |
