Glycoside
GD081494
Name:
NoneFormula:
C18H21O6N4FSmiles:
O=C(C(=O)N1CCn2c(Cc3ccc(F)cc3)nnc2C1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Fc1ccc(Cc2nnc3n2CCNC3)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.39 | Num_heavy_atoms: | 29 |
| TPSA: | 149.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD36690
Formula: C12H13N4F
Smiles:
Fc1ccc(Cc2nnc3n2CCNC3)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.26 | Num_heavy_atoms: | 17 |
| TPSA: | 42.74 | NumAromaticRings: | 2 |
