Glycoside
GD091023
Name:
NoneFormula:
C17H16O5N6S2Smiles:
Cn1c(Sc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nc2sccc2c1=OAglycone:
Cn1c(Sc2ncnc3c2N=C[N]3)nc2sccc2c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.49 | Num_heavy_atoms: | 30 |
| TPSA: | 148.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD39651
Formula: C12H7ON6S2
Smiles:
Cn1c(Sc2ncnc3c2N=C[N]3)nc2sccc2c1=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 315.36 | Num_heavy_atoms: | 21 |
| TPSA: | 87.13 | NumAromaticRings: | 3 |
