Glycoside
GD015236
Name:
NoneFormula:
C22H29O5N5SSmiles:
CCCSc1nc(NCCc2cccc(OC)c2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCSc1nc2c(c(NCCc3cccc(OC)c3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 475.57 | Num_heavy_atoms: | 33 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD11093
Formula: C17H20ON5S
Smiles:
CCCSc1nc2c(c(NCCc3cccc(OC)c3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 342.45 | Num_heavy_atoms: | 24 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
