Glycoside
GD031274
Name:
NoneFormula:
C20H31O4N5SSmiles:
CCCCSc1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCSc1nc2c(c(NC3CCCCC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 437.57 | Num_heavy_atoms: | 30 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD20164
Formula: C15H22N5S
Smiles:
CCCCSc1nc2c(c(NC3CCCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 304.44 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
