Glycoside
GD006187
Name:
NoneFormula:
C19H18O5N4SSmiles:
COc1ccc(-c2c(C#N)c(N)n(C3OCC(O)C(O)C3O)c(=S)c2C#N)cc1Aglycone:
COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.44 | Num_heavy_atoms: | 29 |
| TPSA: | 157.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD05141
Formula: C14H10ON4S
Smiles:
COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.33 | Num_heavy_atoms: | 20 |
| TPSA: | 98.62 | NumAromaticRings: | 2 |
