Glycoside
GD033391
Name:
NoneFormula:
C22H26O7N4SSmiles:
COc1cc(C=CCSc2ncnc3c2cnn3C2O[C@H](CO)[C@H](O)[C@H]2O)cc(OC)c1OCAglycone:
COc1cc(C=CCSc2ncnc3c2C=N[N]3)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 490.54 | Num_heavy_atoms: | 34 |
| TPSA: | 141.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD21310
Formula: C17H17O3N4S
Smiles:
COc1cc(C=CCSc2ncnc3c2C=N[N]3)cc(OC)c1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 357.42 | Num_heavy_atoms: | 25 |
| TPSA: | 79.93 | NumAromaticRings: | 2 |
