Glycoside
GD093246
Name:
NoneFormula:
C21H24O5N4SSmiles:
Cc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2C)cc1Aglycone:
Cc1ccc(N=Nc2c(C)[nH]c(=S)c(C#N)c2C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.51 | Num_heavy_atoms: | 31 |
| TPSA: | 143.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD03417
Formula: C15H14N4S
Smiles:
Cc1ccc(N=Nc2c(C)[nH]c(=S)c(C#N)c2C)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.37 | Num_heavy_atoms: | 20 |
| TPSA: | 64.3 | NumAromaticRings: | 2 |
