Glycoside
GD014653
Name:
NoneFormula:
C22H29O4N5SSmiles:
CCCCSc1nc(NCCc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCSc1nc2c(c(NCCc3ccccc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 459.57 | Num_heavy_atoms: | 32 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD10752
Formula: C17H20N5S
Smiles:
CCCCSc1nc2c(c(NCCc3ccccc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 326.45 | Num_heavy_atoms: | 23 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
