Glycoside
GD033234
Name:
NoneFormula:
C31H39O4N8FSmiles:
Cc1ccc(NC(=O)NCCCN(C[C@@H]2O[C@H](n3cnc4c(NCc5cccc(F)c5)ncnc43)[C@H](O)[C@H]2O)C(C)C)cc1Aglycone:
Cc1ccc(NC(=O)NCCCN(C)C(C)C)cc1.Fc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 12 |
| MolWt: | 606.7 | Num_heavy_atoms: | 44 |
| TPSA: | 149.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD02697
Formula: C12H9N5F
Smiles:
Fc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.24 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD21231
Formula: C15H25ON3
Smiles:
Cc1ccc(NC(=O)NCCCN(C)C(C)C)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 263.38 | Num_heavy_atoms: | 19 |
| TPSA: | 44.37 | NumAromaticRings: | 1 |
