Glycoside
GD018773
Name:
NoneFormula:
C17H19O4N5SSmiles:
Nc1nc(SCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(SCc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 389.44 | Num_heavy_atoms: | 27 |
| TPSA: | 139.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD13180
Formula: C12H10N5S
Smiles:
Nc1nc(SCc2ccccc2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.31 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
