Glycoside
GD018423
Name:
NoneFormula:
C26H26O6N4SSmiles:
COc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2-c2ccccc2)cc1Aglycone:
COc1ccc(N=Nc2c(-c3ccccc3)[nH]c(=S)c(C#N)c2C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.58 | Num_heavy_atoms: | 37 |
| TPSA: | 152.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD13000
Formula: C20H16ON4S
Smiles:
COc1ccc(N=Nc2c(-c3ccccc3)[nH]c(=S)c(C#N)c2C)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.44 | Num_heavy_atoms: | 26 |
| TPSA: | 73.53 | NumAromaticRings: | 3 |
