Glycoside
GD021553
Name:
NoneFormula:
C20H19O4N4ClSSmiles:
OC[C@@H]1OC(n2ncc3c(SCC=Cc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc(C=CCSc2ncnc3c2C=N[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.91 | Num_heavy_atoms: | 29 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD14726
Formula: C15H10N4ClS
Smiles:
Clc1ccc(C=CCSc2ncnc3c2C=N[N]3)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 301.78 | Num_heavy_atoms: | 20 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
