Glycoside
GD015237
Name:
NoneFormula:
C20H25O4N5SSmiles:
CCSc1nc(NCCc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CCSc1nc2c(c(NCCc3ccccc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 431.52 | Num_heavy_atoms: | 30 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD11094
Formula: C15H16N5S
Smiles:
CCSc1nc2c(c(NCCc3ccccc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 298.39 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
