Glycoside
GD003030
Name:
NoneFormula:
C26H23O5N4ClSSmiles:
Cc1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#NAglycone:
Cc1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)[nH]c(=S)c1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 527.0 | Num_heavy_atoms: | 36 |
| TPSA: | 143.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD02249
Formula: C20H13N4ClS
Smiles:
Cc1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)[nH]c(=S)c1C#N| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 6.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.86 | Num_heavy_atoms: | 25 |
| TPSA: | 64.3 | NumAromaticRings: | 3 |
