Glycoside
GD004041
Name:
NoneFormula:
C21H21O5N4ClSSmiles:
Cc1c(N=Nc2ccc(Cl)cc2)c(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#NAglycone:
Cc1[nH]c(=S)c(C#N)c(C)c1N=Nc1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.93 | Num_heavy_atoms: | 31 |
| TPSA: | 143.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD03583
Formula: C15H11N4ClS
Smiles:
Cc1[nH]c(=S)c(C#N)c(C)c1N=Nc1ccc(Cl)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 5.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.79 | Num_heavy_atoms: | 20 |
| TPSA: | 64.3 | NumAromaticRings: | 2 |
