Glycoside
GD098028
Name:
NoneFormula:
C20H24O6N6SSmiles:
COc1cccc(CNC(=S)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1OCAglycone:
COc1cccc(CNC(=S)Nc2ncnc3c2N=C[N]3)c1OCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.52 | Num_heavy_atoms: | 33 |
| TPSA: | 156.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD41708
Formula: C15H15O2N6S
Smiles:
COc1cccc(CNC(=S)Nc2ncnc3c2N=C[N]3)c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.39 | Num_heavy_atoms: | 24 |
| TPSA: | 94.76 | NumAromaticRings: | 2 |
