Glycoside
GD029487
Name:
NoneFormula:
C22H23O4N5SSmiles:
Cc1ccccc1CNc1ncnc2c1nc(-c1cccs1)n2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Cc1ccccc1CNc1ncnc2c1N=C(c1cccs1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 453.52 | Num_heavy_atoms: | 32 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD19177
Formula: C17H14N5S
Smiles:
Cc1ccccc1CNc1ncnc2c1N=C(c1cccs1)[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 320.4 | Num_heavy_atoms: | 23 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
