Glycoside
GD035298
Name:
NoneFormula:
C30H36O4N8F2Smiles:
CC(C)N(CCCNC(=O)Nc1ccc(F)cc1)C[C@@H]1O[C@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(C)CCCNC(=O)Nc1ccc(F)cc1.Fc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 12 |
| MolWt: | 610.67 | 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 |
AD22345
Formula: C14H22ON3F
Smiles:
CC(C)N(C)CCCNC(=O)Nc1ccc(F)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 267.35 | Num_heavy_atoms: | 19 |
| TPSA: | 44.37 | NumAromaticRings: | 1 |
