Glycoside
GD021114
Name:
NoneFormula:
C30H30O8N7F3Smiles:
COC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1)NC(=O)C(F)(F)FAglycone:
COC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NC(=O)C(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 673.61 | Num_heavy_atoms: | 48 |
| TPSA: | 210.05 | NumAromaticRings: | 4 |
Unique Aglycone
AD14480
Formula: C25H21O4N7F3
Smiles:
COC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NC(=O)C(F)(F)F| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 540.48 | Num_heavy_atoms: | 39 |
| TPSA: | 148.77 | NumAromaticRings: | 3 |
