Glycoside
GD025312
Name:
NoneFormula:
C19H20O5N4SSmiles:
OC[C@@H]1OC(n2ncc3c(SCC=Cc4cccc(O)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Oc1cccc(C=CCSc2ncnc3c2C=N[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.46 | Num_heavy_atoms: | 29 |
| TPSA: | 133.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD16800
Formula: C14H11ON4S
Smiles:
Oc1cccc(C=CCSc2ncnc3c2C=N[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 283.34 | Num_heavy_atoms: | 20 |
| TPSA: | 72.47 | NumAromaticRings: | 2 |
