Glycoside
GD001122
Name:
NoneFormula:
C15H20O4N5SISmiles:
Nc1nc(SCCCC=CI)nc2c1ncn2C1OC(CO)C(O)C1OAglycone:
Nc1nc(SCCCC=CI)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 493.33 | Num_heavy_atoms: | 26 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD01169
Formula: C10H11N5SI
Smiles:
Nc1nc(SCCCC=CI)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.2 | Num_heavy_atoms: | 17 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
