Glycoside
GD027338
Name:
NoneFormula:
C19H23O4N5SSmiles:
CC(C)=CCNc1ncnc2c1nc(-c1cccs1)n2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(C)=CCNc1ncnc2c1N=C(c1cccs1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.49 | Num_heavy_atoms: | 29 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD17970
Formula: C14H14N5S
Smiles:
CC(C)=CCNc1ncnc2c1N=C(c1cccs1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 284.37 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
