Glycoside
GD027105
Name:
NoneFormula:
C21H21O7N5SSmiles:
COc1cccc2cc(CSc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(=O)oc12Aglycone:
COc1cccc2cc(CSC3=Nc4c(N)ncnc4[N]3)c(=O)oc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 487.49 | Num_heavy_atoms: | 34 |
| TPSA: | 178.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD17843
Formula: C16H12O3N5S
Smiles:
COc1cccc2cc(CSC3=Nc4c(N)ncnc4[N]3)c(=O)oc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.37 | Num_heavy_atoms: | 25 |
| TPSA: | 117.7 | NumAromaticRings: | 3 |
