Glycoside
GD000465
Name:
NoneFormula:
C21H18O4N4Cl2SSmiles:
OC[C@@H]1OC(n2ncc3c(SCC=Cc4ccc(Cl)cc4Cl)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc(C=CCSc2ncnc3c2C=N[N]3)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.35 | Num_heavy_atoms: | 30 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD00522
Formula: C16H9N4Cl2S
Smiles:
Clc1ccc(C=CCSc2ncnc3c2C=N[N]3)c(Cl)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 336.23 | Num_heavy_atoms: | 21 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
