Glycoside
GD014028
Name:
NoneFormula:
C26H26O5N4SSmiles:
Cc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2-c2ccccc2)cc1Aglycone:
Cc1ccc(N=Nc2c(-c3ccccc3)[nH]c(=S)c(C#N)c2C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 506.58 | Num_heavy_atoms: | 36 |
| TPSA: | 143.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD10388
Formula: C20H16N4S
Smiles:
Cc1ccc(N=Nc2c(-c3ccccc3)[nH]c(=S)c(C#N)c2C)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.44 | Num_heavy_atoms: | 25 |
| TPSA: | 64.3 | NumAromaticRings: | 3 |
