Glycoside
GD021616
Name:
NoneFormula:
C21H27O4N5SSmiles:
CCCCSc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCSc1nc2c(c(NCc3ccccc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 445.55 | Num_heavy_atoms: | 31 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD14750
Formula: C16H18N5S
Smiles:
CCCCSc1nc2c(c(NCc3ccccc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 312.42 | Num_heavy_atoms: | 22 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
